N-[(Z)-benzylideneamino]-2-hydroxy-5-nitrobenzamide

Formula:C14H11N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-hydroxy-5-nitrobenzamide is a drug-like molecule.

MolNameN-[(Z)-benzylideneamino]-2-hydroxy-5-nitrobenzamide
MolecularFormulaC14H11N3O4
Smiles[O-][N+](c(cc1)cc(C(N/N=C\c2ccccc2)=O)c1O)=O
InChIInChI=1S/C14H11N3O4/c18-13-7-6-11(17(20)21)8-12(13)14(19)16-15-9-10-4-2-1-3-5-10/h1-9,18H,(H,16,19)
InChIKAXOXCDOGJWVZHA-UHFFFAOYSA-N
TotalMolweight285.258
Molweight285.258
MonoisotopicMass285.074957
CLogP1.9343
CLogS-3.885
H Acceptors7
H Donors2
TotalSurfaceArea217.01
Relative PSA0.36648
PolarSurfaceArea107.51
Druglikeness-0.78017
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61905
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
AcidicOxygens1
StereoCon

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