(Z)-2-bromo-N-(4-fluoro-3-nitrophenyl)-3-phenylprop-2-en-1-imine

Formula:C15H10N2O2BrF Mutagenic:high Tumorigenic:low Reproductive Effective:none (Z)-2-bromo-N-(4-fluoro-3-nitrophenyl)-3-phenylprop-2-en-1-imine is a drug-like molecule.

MolName	(Z)-2-bromo-N-(4-fluoro-3-nitrophenyl)-3-phenylprop-2-en-1-imine
MolecularFormula	C15H10N2O2BrF
Smiles	[O-][N+](c(cc(cc1)/N=C/C(/Br)=C/c2ccccc2)c1F)=O
InChI	InChI=1S/C15H10BrFN2O2/c16-12(8-11-4-2-1-3-5-11)10-18-13-6-7-14(17)15(9-13)19(20)21/h1-10H
InChIK	KPXOGMBMBARLDL-UHFFFAOYSA-N
TotalMolweight	349.158
Molweight	349.158
MonoisotopicMass	347.990967
CLogP	2.8235
CLogS	-5.057
H Acceptors	4
TotalSurfaceArea	231.14
Relative PSA	0.18141
PolarSurfaceArea	58.18
Druglikeness	-11.736
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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