benzyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate

Formula:C16H12N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate is a drug-like molecule.

MolName	benzyl (Z)-2-cyano-3-pyridin-3-ylprop-2-enoate
MolecularFormula	C16H12N2O2
Smiles	N#C/C(/C(OCc1ccccc1)=O)=C/c1cnccc1
InChI	InChI=1S/C16H12N2O2/c17-10-15(9-14-7-4-8-18-11-14)16(19)20-12-13-5-2-1-3-6-13/h1-9,11H,12H2
InChIK	BJZYQDBNRMAWKB-UHFFFAOYSA-N
TotalMolweight	264.283
Molweight	264.283
MonoisotopicMass	264.089878
CLogP	2.171
CLogS	-2.927
H Acceptors	4
TotalSurfaceArea	219.71
Relative PSA	0.21651
PolarSurfaceArea	62.98
Druglikeness	-4.1342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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