2D Structure

Marbofloxacin


  • SKU Code: CH137726
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Chemical Name - Marbofloxacin
Mol Weight - 362.36
Smiles - CN(CC1)CCN1c(c1c(c(C(C(C(O)=O)=C2)=O)c3)N2N(C)CO1)c3F
Property Name Property Value
Mol NameMarbofloxacin
Molweight362.36
Monoisotopic Mass362.139034
Clogp-1.5968
Clogs-1.846
H Acceptors8
H Donors1
Total Surface Area250.19
Relative Psa0.25333
Polar Surface Area76.56
Druglikeness5.7
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5
Molecular Flexibility0.31465
Molecular Complexity0.97444
Fragments1
Non H Atoms26
Non Ch Atoms9
Electronegative Atoms9
Rotatable Bonds2
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms12
Symmetric Atoms2
Amines2
Alkyl Amines1
Aromatic Amines1
Basic Nitrogens1
Acidic Oxygens1
SmilesCN(CC1)CCN1c(c1c(c(C(C(C(O)=O)=C2)=O)c3)N2N(C)CO1)c3F
InChIKeyInChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)
InChIBPFYOAJNDMUVBL-UHFFFAOYSA-N

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