(E)-2-(1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile

Formula:C16H9N2OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-(2-chlorophenyl)prop-2-enenitrile
MolecularFormula	C16H9N2OCl
Smiles	N#C/C(/c1nc(cccc2)c2o1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C16H9ClN2O/c17-13-6-2-1-5-11(13)9-12(10-18)16-19-14-7-3-4-8-15(14)20-16/h1-9H
InChIK	RTXAAFIXUYDYNY-UHFFFAOYSA-N
TotalMolweight	280.713
Molweight	280.713
MonoisotopicMass	280.04034
CLogP	3.8399
CLogS	-4.494
H Acceptors	3
TotalSurfaceArea	217.91
Relative PSA	0.17732
PolarSurfaceArea	49.82
Druglikeness	-4.2183
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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