Compound 36
  CheckMol                        TMF02:r0:m0
MF=C15H12N2O MW=236.27
 18 20  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4891   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3236   -2.2336   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -2.2336   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763   -1.3709   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.2291   -3.7227   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0181   -1.7963   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2572    0.1064   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.3400   -4.7272   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1891   -4.1481   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5736   -3.1790   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1290   -0.7682   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3681    1.1345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.8408   -4.4908   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209   -6.1808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.5082   -5.6017   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.8099    0.7091   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.6027   -6.6063   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  1  0  0
  3  6  1  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9 02  0  2  0  0
  6 10 01  0  1  0  0
  7 11  1  0  1  0  0
  7 12 01  0  1  0  0
  8 13 02  0  1  0  0
  9 14  1  0  1  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 12 17 02  0  1  0  0
 15 18 02  0  1  0  0
 11 14  2  0  1  0  0
 13 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

2D Structure

Carbamazepine

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Chemical Name - Carbamazepine
Mol Weight - 236.273
Smiles - NC(N1c(cccc2)c2C=Cc2c1cccc2)=O

Property Name	Property Value
Mol Name	Carbamazepine
Molweight	236.273
Monoisotopic Mass	236.094963
Clogp	3.1187
Clogs	-5.267
H Acceptors	3
H Donors	1
Total Surface Area	182.59
Relative Psa	0.17449
Polar Surface Area	46.33
Druglikeness	1.5571
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Shape Index	0.44444
Molecular Flexibility	0.24288
Molecular Complexity	0.75107
Fragments	1
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetric Atoms	7
Amides	2
Smiles	NC(N1c(cccc2)c2C=Cc2c1cccc2)=O
InChIKey	InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChI	FFGPTBGBLSHEPO-UHFFFAOYSA-N

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1 — Carbamazepine | 2 — Carbamazepine