(E)-3-(1,3-benzodioxol-5-yl)-1-(4-cyclohexylphenyl)prop-2-en-1-one

Formula:C22H22O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(4-cyclohexylphenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
MolecularFormula	C22H22O3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c1ccc(C2CCCCC2)cc1
InChI	InChI=1S/C22H22O3/c23-20(12-6-16-7-13-21-22(14-16)25-15-24-21)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h6-14,17H,1-5,15H2
InChIK	GKCFECRNPXEKRT-UHFFFAOYSA-N
TotalMolweight	334.414
Molweight	334.414
MonoisotopicMass	334.156895
CLogP	5.552
CLogS	-6.318
H Acceptors	3
TotalSurfaceArea	265.33
Relative PSA	0.12452
PolarSurfaceArea	35.53
Druglikeness	-4.6787
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
StereoCon

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