2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]-1H-quinolin-4-one

Formula:C17H12NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-bromo-5-hydroxyphenyl)ethenyl]-1H-quinolin-4-one
MolecularFormula	C17H12NO2Br
Smiles	Oc(cc1)cc(/C=C/C(Nc2c3cccc2)=CC3=O)c1Br
InChI	InChI=1S/C17H12BrNO2/c18-15-8-7-13(20)9-11(15)5-6-12-10-17(21)14-3-1-2-4-16(14)19-12/h1-10,20H,(H,19,21)
InChIK	HXQGITWDUUPJTD-UHFFFAOYSA-N
TotalMolweight	342.191
Molweight	342.191
MonoisotopicMass	341.00514
CLogP	3.6804
CLogS	-5.034
H Acceptors	3
H Donors	2
TotalSurfaceArea	224.92
Relative PSA	0.16717
PolarSurfaceArea	49.33
Druglikeness	-0.24939
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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