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

Formula:C18H12N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate is a drug-like molecule.

MolName	phenyl (2Z)-2-cyano-2-(1H-quinolin-2-ylidene)acetate
MolecularFormula	C18H12N2O2
Smiles	N#C/C(/C(Oc1ccccc1)=O)=C1/Nc(cccc2)c2C=C1
InChI	InChI=1S/C18H12N2O2/c19-12-15(18(21)22-14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-16(13)20-17/h1-11,20H
InChIK	VTQFUNHIKLADLD-UHFFFAOYSA-N
TotalMolweight	288.305
Molweight	288.305
MonoisotopicMass	288.089878
CLogP	2.902
CLogS	-4.384
H Acceptors	4
H Donors	1
TotalSurfaceArea	229.86
Relative PSA	0.20908
PolarSurfaceArea	62.12
Druglikeness	-3.3254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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