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

Formula:C24H16NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-bromo-3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.

MolName	6-bromo-3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
MolecularFormula	C24H16NO3Br
Smiles	Oc1cccc(/C=C/C(C2=C(c3ccccc3)c(cc(cc3)Br)c3NC2=O)=O)c1
InChI	InChI=1S/C24H16BrNO3/c25-17-10-11-20-19(14-17)22(16-6-2-1-3-7-16)23(24(29)26-20)21(28)12-9-15-5-4-8-18(27)13-15/h1-14,27H,(H,26,29)
InChIK	FVQLWHQROOVOKS-UHFFFAOYSA-N
TotalMolweight	446.299
Molweight	446.299
MonoisotopicMass	445.031355
CLogP	4.4393
CLogS	-5.741
H Acceptors	4
H Donors	2
TotalSurfaceArea	300.64
Relative PSA	0.16844
PolarSurfaceArea	66.4
Druglikeness	1.8845
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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