N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide

Formula:C14H9N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is a drug-like molecule.

MolNameN-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
MolecularFormulaC14H9N4O6Cl
Smiles[O-][N+](c(cc1)cc(C(N/N=C\c(cc2)cc([N+]([O-])=O)c2Cl)=O)c1O)=O
InChIInChI=1S/C14H9ClN4O6/c15-11-3-1-8(5-12(11)19(24)25)7-16-17-14(21)10-6-9(18(22)23)2-4-13(10)20/h1-7,20H,(H,17,21)
InChIKAGWGUKVCGVXXEA-UHFFFAOYSA-N
TotalMolweight364.7
Molweight364.7
MonoisotopicMass364.021063
CLogP1.6187
CLogS-5.081
H Acceptors10
H Donors2
TotalSurfaceArea256.1
Relative PSA0.42932
PolarSurfaceArea153.33
Druglikeness-0.7535
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56
Fragments1
Non HAtoms25
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
AcidicOxygens2
StereoCon

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