4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid

Formula:C21H14N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName4-[(2Z)-2-[[4-(3,4-dichlorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
MolecularFormulaC21H14N2O4Cl2
SmilesOC(c(cc1)ccc1N/N=C\c(cc1)ccc1OC(c(cc1)cc(Cl)c1Cl)=O)=O
InChIInChI=1S/C21H14Cl2N2O4/c22-18-10-5-15(11-19(18)23)21(28)29-17-8-1-13(2-9-17)12-24-25-16-6-3-14(4-7-16)20(26)27/h1-12,25H,(H,26,27)
InChIKNDHVTIJUOYHTLK-UHFFFAOYSA-N
TotalMolweight429.258
Molweight429.258
MonoisotopicMass428.033062
CLogP6.9685
CLogS-6.104
H Acceptors6
H Donors2
TotalSurfaceArea311.69
Relative PSA0.23148
PolarSurfaceArea87.99
Druglikeness1.7216
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.68966
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
AcidicOxygens1
StereoCon

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