(E)-1-cyclopenta-1,3-dien-1-yl-3-phenylprop-2-en-1-one

Formula:C14H12O Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-cyclopenta-1,3-dien-1-yl-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-cyclopenta-1,3-dien-1-yl-3-phenylprop-2-en-1-one
MolecularFormula	C14H12O
Smiles	O=C(/C=C/c1ccccc1)C1=CC=CC1
InChI	InChI=1S/C14H12O/c15-14(13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h1-8,10-11H,9H2
InChIK	RHQLKUPZLSORDB-UHFFFAOYSA-N
TotalMolweight	196.248
Molweight	196.248
MonoisotopicMass	196.088815
CLogP	2.7738
CLogS	-3.01
H Acceptors	1
TotalSurfaceArea	168.98
Relative PSA	0.077169
PolarSurfaceArea	17.07
Druglikeness	0.37933
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	1
Electronegative Atoms	1
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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