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MolName : 4-chloro-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

MolecularFormula : C16H12N4O4Cl2

Smiles : [O-][N+](c(cc(/C=N\NC(CNC(c(cc1)ccc1Cl)=O)=O)cc1)c1Cl)=O

InChI : InChI=1S/C16H12Cl2N4O4/c17-12-4-2-11(3-5-12)16(24)19-9-15(23)21-20-8-10-1-6-13(18)14(7-10)22(25)26/h1-8H,9H2,(H,19,24)(H,21,23)

InChIK : MGGPYZIBSFVAMA-UHFFFAOYSA-N

TotalMolweight : 395.201

Molweight : 395.201

MonoisotopicMass : 394.02356

CLogP : 2.5757

CLogS : -5.42

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 284.47

Relative PSA : 0.31965

PolarSurfaceArea : 116.38

Druglikeness : 0.24684

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :