2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1H-quinolin-4-one

Formula:C17H11NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1H-quinolin-4-one
MolecularFormula	C17H11NOClF
Smiles	O=C1c(cccc2)c2NC(/C=C/c(c(F)ccc2)c2Cl)=C1
InChI	InChI=1S/C17H11ClFNO/c18-14-5-3-6-15(19)12(14)9-8-11-10-17(21)13-4-1-2-7-16(13)20-11/h1-10H,(H,20,21)
InChIK	IOCDUGJOPNOXSY-UHFFFAOYSA-N
TotalMolweight	299.731
Molweight	299.731
MonoisotopicMass	299.051319
CLogP	4.0077
CLogS	-5.546
H Acceptors	2
H Donors	1
TotalSurfaceArea	221.71
Relative PSA	0.1105
PolarSurfaceArea	29.1
Druglikeness	0.25428
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
StereoCon

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