2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinolin-8-ol

Formula:C17H11NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinolin-8-ol is not a drug-like molecule.

MolName	2-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinolin-8-ol
MolecularFormula	C17H11NOCl2
Smiles	Oc1c2nc(/C=C/c(ccc(Cl)c3)c3Cl)ccc2ccc1
InChI	InChI=1S/C17H11Cl2NO/c18-13-7-4-11(15(19)10-13)5-8-14-9-6-12-2-1-3-16(21)17(12)20-14/h1-10,21H
InChIK	FGEKSFQAAXPJHB-UHFFFAOYSA-N
TotalMolweight	316.186
Molweight	316.186
MonoisotopicMass	315.021768
CLogP	5.1029
CLogS	-5.658
H Acceptors	2
H Donors	1
TotalSurfaceArea	230.07
Relative PSA	0.10462
PolarSurfaceArea	33.12
Druglikeness	-1.2608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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