6-bromo-3-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

Formula:C27H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-bromo-3-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	6-bromo-3-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C27H17N2O3Br
Smiles	O=C(/C=C/C1=Cc(cccc2)c2NC1=O)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O
InChI	InChI=1S/C27H17BrN2O3/c28-19-11-12-22-20(15-19)24(16-6-2-1-3-7-16)25(27(33)30-22)23(31)13-10-18-14-17-8-4-5-9-21(17)29-26(18)32/h1-15H,(H,29,32)(H,30,33)
InChIK	QLUMMJZZTFVTSW-UHFFFAOYSA-N
TotalMolweight	497.347
Molweight	497.347
MonoisotopicMass	496.042254
CLogP	4.0787
CLogS	-6.361
H Acceptors	5
H Donors	2
TotalSurfaceArea	334.71
Relative PSA	0.18535
PolarSurfaceArea	75.27
Druglikeness	2.0386
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	2
Amides	2
StereoCon

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