N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide

Formula:C19H11N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide is a drug-like molecule.

MolName	N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
MolecularFormula	C19H11N2O4ClS
Smiles	Oc(cc1)cc(O2)c1C=C(C(Nc1nc(-c(cc3)ccc3Cl)cs1)=O)C2=O
InChI	InChI=1S/C19H11ClN2O4S/c20-12-4-1-10(2-5-12)15-9-27-19(21-15)22-17(24)14-7-11-3-6-13(23)8-16(11)26-18(14)25/h1-9,23H,(H,21,22,24)
InChIK	KOYAJLBLZLBAML-UHFFFAOYSA-N
TotalMolweight	398.825
Molweight	398.825
MonoisotopicMass	398.012805
CLogP	3.9595
CLogS	-5.419
H Acceptors	6
H Donors	2
TotalSurfaceArea	277.42
Relative PSA	0.33152
PolarSurfaceArea	116.76
Druglikeness	1.595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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