(2Z)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylidene)-1-phenylethanone

Formula:C16H12O Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylidene)-1-phenylethanone is a drug-like molecule.

MolName	(2Z)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylidene)-1-phenylethanone
MolecularFormula	C16H12O
Smiles	O=C(/C=C(/C1)\c2c1cccc2)c1ccccc1
InChI	InChI=1S/C16H12O/c17-16(12-6-2-1-3-7-12)11-14-10-13-8-4-5-9-15(13)14/h1-9,11H,10H2
InChIK	HWHZQTMEJCZCLM-UHFFFAOYSA-N
TotalMolweight	220.27
Molweight	220.27
MonoisotopicMass	220.088815
CLogP	3.0664
CLogS	-3.618
H Acceptors	1
TotalSurfaceArea	175.74
Relative PSA	0.074201
PolarSurfaceArea	17.07
Druglikeness	0.46178
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	1
Electronegative Atoms	1
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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