(3E,7E)-3,7-dibenzylidenecycloheptane-1,2-dione

Formula:C21H18O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,7E)-3,7-dibenzylidenecycloheptane-1,2-dione is a drug-like molecule.

MolName	(3E,7E)-3,7-dibenzylidenecycloheptane-1,2-dione
MolecularFormula	C21H18O2
Smiles	O=C(/C(/CCC/C1=C\c2ccccc2)=C/c2ccccc2)C1=O
InChI	InChI=1S/C21H18O2/c22-20-18(14-16-8-3-1-4-9-16)12-7-13-19(21(20)23)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
InChIK	IBFUPJJVGPTQOS-UHFFFAOYSA-N
TotalMolweight	302.372
Molweight	302.372
MonoisotopicMass	302.13068
CLogP	4.4716
CLogS	-4.512
H Acceptors	2
TotalSurfaceArea	245.72
Relative PSA	0.10614
PolarSurfaceArea	34.14
Druglikeness	-6.194
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	13
StereoCon

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