3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one

Formula:C25H15NO4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.

MolName	3-[(E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
MolecularFormula	C25H15NO4BrCl
Smiles	O=C(/C=C/c(cc1OCOc1c1)c1Br)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O
InChI	InChI=1S/C25H15BrClNO4/c26-18-12-22-21(31-13-32-22)10-15(18)6-9-20(29)24-23(14-4-2-1-3-5-14)17-11-16(27)7-8-19(17)28-25(24)30/h1-12H,13H2,(H,28,30)
InChIK	KALMFZYZYYSXCK-UHFFFAOYSA-N
TotalMolweight	508.754
Molweight	508.754
MonoisotopicMass	506.987297
CLogP	5.5024
CLogS	-7.484
H Acceptors	5
H Donors	1
TotalSurfaceArea	329.97
Relative PSA	0.17438
PolarSurfaceArea	64.63
Druglikeness	1.8589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.4375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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