(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid

Formula:C17H14N2O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid is a drug-like molecule.

MolName	(4Z)-4-(4-bromophenyl)-4-[(4-fluorobenzoyl)hydrazinylidene]butanoic acid
MolecularFormula	C17H14N2O3BrF
Smiles	OC(CC/C(/c(cc1)ccc1Br)=N/NC(c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C17H14BrFN2O3/c18-13-5-1-11(2-6-13)15(9-10-16(22)23)20-21-17(24)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIK	JQSAFDVRDYIAQC-UHFFFAOYSA-N
TotalMolweight	393.211
Molweight	393.211
MonoisotopicMass	392.017182
CLogP	3.598
CLogS	-5.244
H Acceptors	5
H Donors	2
TotalSurfaceArea	261.8
Relative PSA	0.23739
PolarSurfaceArea	78.76
Druglikeness	-1.1126
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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