(E)-2-(4-bromobenzoyl)-3-phenylprop-2-enenitrile

Formula:C16H10NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(4-bromobenzoyl)-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-bromobenzoyl)-3-phenylprop-2-enenitrile
MolecularFormula	C16H10NOBr
Smiles	N#C/C(/C(c(cc1)ccc1Br)=O)=C\c1ccccc1
InChI	InChI=1S/C16H10BrNO/c17-15-8-6-13(7-9-15)16(19)14(11-18)10-12-4-2-1-3-5-12/h1-10H
InChIK	MHHSTHJVKMYGMA-UHFFFAOYSA-N
TotalMolweight	312.165
Molweight	312.165
MonoisotopicMass	310.994575
CLogP	3.881
CLogS	-4.946
H Acceptors	2
TotalSurfaceArea	215.82
Relative PSA	0.12325
PolarSurfaceArea	40.86
Druglikeness	-5.6303
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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