3-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]benzoate

Formula:C16H12N2O2Br Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]benzoate is a drug-like molecule.

MolName	3-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]benzoate
MolecularFormula	C16H12N2O2Br
Smiles	[O-]C(c1cccc(N/N=C\C(\Br)=C\c2ccccc2)c1)=O
InChI	InChI=1S/C16H13BrN2O2/c17-14(9-12-5-2-1-3-6-12)11-18-19-15-8-4-7-13(10-15)16(20)21/h1-11,19H,(H,20,21)/p-1
InChIK	BXAOOMQJQHCHLU-UHFFFAOYSA-M
TotalMolweight	344.187
Molweight	344.187
MonoisotopicMass	343.008214
CLogP	2.8609
CLogS	-4.287
H Acceptors	4
H Donors	1
TotalSurfaceArea	237.86
Relative PSA	0.21143
PolarSurfaceArea	64.52
Druglikeness	-2.8522
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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