(E)-2-benzoyl-3-(2-fluorophenyl)prop-2-enenitrile

Formula:C16H10NOF Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-benzoyl-3-(2-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-(2-fluorophenyl)prop-2-enenitrile
MolecularFormula	C16H10NOF
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(cccc1)c1F
InChI	InChI=1S/C16H10FNO/c17-15-9-5-4-8-13(15)10-14(11-18)16(19)12-6-2-1-3-7-12/h1-10H
InChIK	ACSMMSVGMDRPLV-UHFFFAOYSA-N
TotalMolweight	251.259
Molweight	251.259
MonoisotopicMass	251.074642
CLogP	3.2566
CLogS	-4.426
H Acceptors	2
TotalSurfaceArea	203.54
Relative PSA	0.13069
PolarSurfaceArea	40.86
Druglikeness	-5.1803
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57895
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	2
StereoCon

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