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

Formula:C22H14NO3Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 6-bromo-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	6-bromo-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C22H14NO3Br
Smiles	O=C(/C=C/c1ccco1)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O
InChI	InChI=1S/C22H14BrNO3/c23-15-8-10-18-17(13-15)20(14-5-2-1-3-6-14)21(22(26)24-18)19(25)11-9-16-7-4-12-27-16/h1-13H,(H,24,26)
InChIK	QREHRPYUBWNHDV-UHFFFAOYSA-N
TotalMolweight	420.261
Molweight	420.261
MonoisotopicMass	419.015705
CLogP	3.9737
CLogS	-5.719
H Acceptors	4
H Donors	1
TotalSurfaceArea	283.98
Relative PSA	0.18188
PolarSurfaceArea	59.31
Druglikeness	1.748
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	1
StereoCon

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