(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C24H16O6 Mutagenic:high Tumorigenic:high Reproductive Effective:high (3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(3-oxobenzo[f]chromen-1-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C24H16O6
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)OCC(c(c1ccccc1cc1)c1O1)=CC1=O
InChI	InChI=1S/C24H16O6/c25-22(10-6-15-5-8-19-21(11-15)29-14-28-19)27-13-17-12-23(26)30-20-9-7-16-3-1-2-4-18(16)24(17)20/h1-12H,13-14H2
InChIK	UTSHKDIOEHEWFL-UHFFFAOYSA-N
TotalMolweight	400.385
Molweight	400.385
MonoisotopicMass	400.09469
CLogP	4.2123
CLogS	-5.859
H Acceptors	6
TotalSurfaceArea	294.85
Relative PSA	0.22411
PolarSurfaceArea	71.06
Druglikeness	-2.4747
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
StereoCon

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