3-[(2E)-2-[(E)-3-(4-nitrophenyl)-1-phenylprop-2-enylidene]hydrazinyl]benzoic acid

Formula:C22H17N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2E)-2-[(E)-3-(4-nitrophenyl)-1-phenylprop-2-enylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName	3-[(2E)-2-[(E)-3-(4-nitrophenyl)-1-phenylprop-2-enylidene]hydrazinyl]benzoic acid
MolecularFormula	C22H17N3O4
Smiles	[O-][N+](c1ccc(/C=C/C(/c2ccccc2)=N\Nc2cc(C(O)=O)ccc2)cc1)=O
InChI	InChI=1S/C22H17N3O4/c26-22(27)18-7-4-8-19(15-18)23-24-21(17-5-2-1-3-6-17)14-11-16-9-12-20(13-10-16)25(28)29/h1-15,23H,(H,26,27)
InChIK	KZAVLMSOEWEYFK-UHFFFAOYSA-N
TotalMolweight	387.394
Molweight	387.394
MonoisotopicMass	387.121907
CLogP	5.1153
CLogS	-5.522
H Acceptors	7
H Donors	2
TotalSurfaceArea	301.48
Relative PSA	0.2638
PolarSurfaceArea	107.51
Druglikeness	-3.9324
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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