(4E)-4-[(2-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid

Formula:C17H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(2-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName	(4E)-4-[(2-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
MolecularFormula	C17H15N3O5
Smiles	[O-][N+](c(cccc1)c1C(N/N=C(\CCC(O)=O)/c1ccccc1)=O)=O
InChI	InChI=1S/C17H15N3O5/c21-16(22)11-10-14(12-6-2-1-3-7-12)18-19-17(23)13-8-4-5-9-15(13)20(24)25/h1-9H,10-11H2,(H,19,23)(H,21,22)
InChIK	WGKKSVYHKBBASO-UHFFFAOYSA-N
TotalMolweight	341.322
Molweight	341.322
MonoisotopicMass	341.101172
CLogP	1.8504
CLogS	-4.556
H Acceptors	8
H Donors	2
TotalSurfaceArea	260.49
Relative PSA	0.35537
PolarSurfaceArea	124.58
Druglikeness	-3.0105
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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