(E)-3-(2-chloroquinolin-3-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one

Formula:C18H12NO3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroquinolin-3-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloroquinolin-3-yl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
MolecularFormula	C18H12NO3Cl
Smiles	Oc(cc1)cc(O)c1C(/C=C/c1cc2ccccc2nc1Cl)=O
InChI	InChI=1S/C18H12ClNO3/c19-18-12(9-11-3-1-2-4-15(11)20-18)5-8-16(22)14-7-6-13(21)10-17(14)23/h1-10,21,23H
InChIK	ISSYEJUBEUGTAS-UHFFFAOYSA-N
TotalMolweight	325.75
Molweight	325.75
MonoisotopicMass	325.050571
CLogP	3.6318
CLogS	-4.453
H Acceptors	4
H Donors	2
TotalSurfaceArea	238.75
Relative PSA	0.2103
PolarSurfaceArea	70.42
Druglikeness	0.395
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Aromatic Nitrogens	1
StereoCon

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