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

Formula:C27H16N2O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-bromo-3-[(E)-3-(2-chloroquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is not a drug-like molecule.

MolName	6-bromo-3-[(E)-3-(2-chloroquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C27H16N2O2BrCl
Smiles	O=C(/C=C/c1cc2ccccc2nc1Cl)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O
InChI	InChI=1S/C27H16BrClN2O2/c28-19-11-12-22-20(15-19)24(16-6-2-1-3-7-16)25(27(33)31-22)23(32)13-10-18-14-17-8-4-5-9-21(17)30-26(18)29/h1-15H,(H,31,33)
InChIK	ADGGLKKDOPMTDZ-UHFFFAOYSA-N
TotalMolweight	515.793
Molweight	515.793
MonoisotopicMass	514.008366
CLogP	5.8044
CLogS	-7.242
H Acceptors	4
H Donors	1
TotalSurfaceArea	343.07
Relative PSA	0.1414
PolarSurfaceArea	59.06
Druglikeness	1.9291
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	4
Aromatic Atoms	22
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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