3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoic acid

Formula:C16H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoic acid is a drug-like molecule.

MolName	3-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzoic acid
MolecularFormula	C16H13N3O4
Smiles	[O-][N+](c1c(/C=C/C=N\Nc2cc(C(O)=O)ccc2)cccc1)=O
InChI	InChI=1S/C16H13N3O4/c20-16(21)13-6-3-8-14(11-13)18-17-10-4-7-12-5-1-2-9-15(12)19(22)23/h1-11,18H,(H,20,21)
InChIK	USBIKKMUBXMBEZ-UHFFFAOYSA-N
TotalMolweight	311.296
Molweight	311.296
MonoisotopicMass	311.090607
CLogP	3.4227
CLogS	-3.914
H Acceptors	7
H Donors	2
TotalSurfaceArea	243.51
Relative PSA	0.3266
PolarSurfaceArea	107.51
Druglikeness	-3.1627
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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