3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxychromen-2-one

Formula:C18H9NO3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxychromen-2-one
MolecularFormula	C18H9NO3Cl2S
Smiles	Oc(cc1)cc(O2)c1C=C(c1csc(-c(cc3)cc(Cl)c3Cl)n1)C2=O
InChI	InChI=1S/C18H9Cl2NO3S/c19-13-4-2-10(6-14(13)20)17-21-15(8-25-17)12-5-9-1-3-11(22)7-16(9)24-18(12)23/h1-8,22H
InChIK	LAIGOIAZKFSVQD-UHFFFAOYSA-N
TotalMolweight	390.245
Molweight	390.245
MonoisotopicMass	388.968018
CLogP	4.328
CLogS	-4.854
H Acceptors	4
H Donors	1
TotalSurfaceArea	263.63
Relative PSA	0.25593
PolarSurfaceArea	87.66
Druglikeness	3.18
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
StereoCon

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