(7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Formula:C20H15NO5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate is a drug-like molecule.

MolName	(7-hydroxy-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
MolecularFormula	C20H15NO5S
Smiles	Oc(cc1)cc(O2)c1C(COC(CCc1nc(cccc3)c3s1)=O)=CC2=O
InChI	InChI=1S/C20H15NO5S/c22-13-5-6-14-12(9-20(24)26-16(14)10-13)11-25-19(23)8-7-18-21-15-3-1-2-4-17(15)27-18/h1-6,9-10,22H,7-8,11H2
InChIK	CEOZBYNZJXGXDD-UHFFFAOYSA-N
TotalMolweight	381.407
Molweight	381.407
MonoisotopicMass	381.067094
CLogP	2.6913
CLogS	-3.375
H Acceptors	6
H Donors	1
TotalSurfaceArea	276.66
Relative PSA	0.32715
PolarSurfaceArea	113.96
Druglikeness	-3.7921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Aromatic Nitrogens	1
StereoCon

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