phenyl (2Z)-2-cyano-2-(1H-pyridin-2-ylidene)acetate

Formula:C14H10N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (2Z)-2-cyano-2-(1H-pyridin-2-ylidene)acetate is a drug-like molecule.

MolName	phenyl (2Z)-2-cyano-2-(1H-pyridin-2-ylidene)acetate
MolecularFormula	C14H10N2O2
Smiles	N#C/C(/C(Oc1ccccc1)=O)=C1/NC=CC=C1
InChI	InChI=1S/C14H10N2O2/c15-10-12(13-8-4-5-9-16-13)14(17)18-11-6-2-1-3-7-11/h1-9,16H
InChIK	IJQKKPJSAKNJRZ-UHFFFAOYSA-N
TotalMolweight	238.245
Molweight	238.245
MonoisotopicMass	238.074228
CLogP	1.5903
CLogS	-3.075
H Acceptors	4
H Donors	1
TotalSurfaceArea	196.6
Relative PSA	0.24446
PolarSurfaceArea	62.12
Druglikeness	-3.0939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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