(1E,4E)-1-(1,3-benzodioxol-5-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one

Formula:C20H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (1E,4E)-1-(1,3-benzodioxol-5-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one is a drug-like molecule.

MolName	(1E,4E)-1-(1,3-benzodioxol-5-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one
MolecularFormula	C20H15NO3
Smiles	O=C(/C=C/c1c[nH]c2c1cccc2)/C=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C20H15NO3/c22-16(8-5-14-6-10-19-20(11-14)24-13-23-19)9-7-15-12-21-18-4-2-1-3-17(15)18/h1-12,21H,13H2
InChIK	DPQZWZDFCKLCSG-UHFFFAOYSA-N
TotalMolweight	317.343
Molweight	317.343
MonoisotopicMass	317.105194
CLogP	4.0754
CLogS	-5.222
H Acceptors	4
H Donors	1
TotalSurfaceArea	248.2
Relative PSA	0.18948
PolarSurfaceArea	51.32
Druglikeness	1.3722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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