(E)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile

Formula:C16H13NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
MolecularFormula	C16H13NO
Smiles	N#C/C=C/c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C16H13NO/c17-12-4-7-14-8-10-16(11-9-14)18-13-15-5-2-1-3-6-15/h1-11H,13H2
InChIK	OSGFJSAOKKUNFI-UHFFFAOYSA-N
TotalMolweight	235.285
Molweight	235.285
MonoisotopicMass	235.099714
CLogP	3.3439
CLogS	-4.013
H Acceptors	2
TotalSurfaceArea	204.99
Relative PSA	0.11493
PolarSurfaceArea	33.02
Druglikeness	-5.9478
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.77778
Fragments	1
Non HAtoms	18
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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