3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-6-nitrochromen-2-one

Formula:C18H8N2O5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-6-nitrochromen-2-one is a drug-like molecule.

MolName	3-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-7-hydroxy-6-nitrochromen-2-one
MolecularFormula	C18H8N2O5Cl2S
Smiles	[O-][N+](c(c(O)c1)cc(C=C2c3csc(-c(cc4)cc(Cl)c4Cl)n3)c1OC2=O)=O
InChI	InChI=1S/C18H8Cl2N2O5S/c19-11-2-1-8(4-12(11)20)17-21-13(7-28-17)10-3-9-5-14(22(25)26)15(23)6-16(9)27-18(10)24/h1-7,23H
InChIK	DJJXXWALUZSWKJ-UHFFFAOYSA-N
TotalMolweight	435.243
Molweight	435.243
MonoisotopicMass	433.953097
CLogP	3.4064
CLogS	-5.314
H Acceptors	7
H Donors	1
TotalSurfaceArea	287.3
Relative PSA	0.34072
PolarSurfaceArea	133.48
Druglikeness	-1.8206
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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