2-[(E)-2-(2-hydroxy-5-iodophenyl)ethenyl]-1H-quinolin-4-one

Formula:C17H12NO2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2-hydroxy-5-iodophenyl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(2-hydroxy-5-iodophenyl)ethenyl]-1H-quinolin-4-one
MolecularFormula	C17H12NO2I
Smiles	Oc(cc1)c(/C=C/C(Nc2c3cccc2)=CC3=O)cc1I
InChI	InChI=1S/C17H12INO2/c18-12-6-8-16(20)11(9-12)5-7-13-10-17(21)14-3-1-2-4-15(14)19-13/h1-10,20H,(H,19,21)
InChIK	QTNYAQOCJLPGJK-UHFFFAOYSA-N
TotalMolweight	389.187
Molweight	389.187
MonoisotopicMass	388.991277
CLogP	3.3923
CLogS	-5.216
H Acceptors	3
H Donors	2
TotalSurfaceArea	232.57
Relative PSA	0.16167
PolarSurfaceArea	49.33
Druglikeness	2.1093
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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