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

Formula:C17H15N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(2-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName	(4E)-4-[(2-bromobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
MolecularFormula	C17H15N2O3Br
Smiles	OC(CC/C(/c1ccccc1)=N\NC(c(cccc1)c1Br)=O)=O
InChI	InChI=1S/C17H15BrN2O3/c18-14-9-5-4-8-13(14)17(23)20-19-15(10-11-16(21)22)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,23)(H,21,22)
InChIK	JCJNMNUAUMUNEI-UHFFFAOYSA-N
TotalMolweight	375.221
Molweight	375.221
MonoisotopicMass	374.026604
CLogP	3.4972
CLogS	-4.93
H Acceptors	5
H Donors	2
TotalSurfaceArea	255.45
Relative PSA	0.2433
PolarSurfaceArea	78.76
Druglikeness	0.22735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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