4-[(E)-(4-oxochromen-3-ylidene)methyl]benzonitrile

Formula:C17H11NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-(4-oxochromen-3-ylidene)methyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-(4-oxochromen-3-ylidene)methyl]benzonitrile
MolecularFormula	C17H11NO2
Smiles	N#Cc1ccc(/C=C(\COc2c3cccc2)/C3=O)cc1
InChI	InChI=1S/C17H11NO2/c18-10-13-7-5-12(6-8-13)9-14-11-20-16-4-2-1-3-15(16)17(14)19/h1-9H,11H2
InChIK	HNQHLDYQFHLRRG-UHFFFAOYSA-N
TotalMolweight	261.279
Molweight	261.279
MonoisotopicMass	261.078979
CLogP	3.2594
CLogS	-4.601
H Acceptors	3
TotalSurfaceArea	207.45
Relative PSA	0.17643
PolarSurfaceArea	50.09
Druglikeness	-3.9245
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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