4-[(E)-(5-oxo-8,9-dihydro-7H-benzo[7]annulen-6-ylidene)methyl]benzonitrile

Formula:C19H15NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-(5-oxo-8,9-dihydro-7H-benzo[7]annulen-6-ylidene)methyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-(5-oxo-8,9-dihydro-7H-benzo[7]annulen-6-ylidene)methyl]benzonitrile
MolecularFormula	C19H15NO
Smiles	N#Cc1ccc(/C=C(\CCCc2c3cccc2)/C3=O)cc1
InChI	InChI=1S/C19H15NO/c20-13-15-10-8-14(9-11-15)12-17-6-3-5-16-4-1-2-7-18(16)19(17)21/h1-2,4,7-12H,3,5-6H2
InChIK	UBNXNLNSZMZHDD-UHFFFAOYSA-N
TotalMolweight	273.334
Molweight	273.334
MonoisotopicMass	273.115364
CLogP	4.1904
CLogS	-5.326
H Acceptors	2
TotalSurfaceArea	224.97
Relative PSA	0.11824
PolarSurfaceArea	40.86
Druglikeness	-6.2468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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