7-hydroxy-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Formula:C18H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one is a drug-like molecule.

MolName	7-hydroxy-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one
MolecularFormula	C18H13N3O3S
Smiles	Oc(cc1)cc(O2)c1C(CSc1n[nH]c(-c3ccccc3)n1)=CC2=O
InChI	InChI=1S/C18H13N3O3S/c22-13-6-7-14-12(8-16(23)24-15(14)9-13)10-25-18-19-17(20-21-18)11-4-2-1-3-5-11/h1-9,22H,10H2,(H,19,20,21)
InChIK	LVWUDCBUGXQVGY-UHFFFAOYSA-N
TotalMolweight	351.385
Molweight	351.385
MonoisotopicMass	351.067762
CLogP	2.5415
CLogS	-4.379
H Acceptors	6
H Donors	2
TotalSurfaceArea	256.43
Relative PSA	0.34926
PolarSurfaceArea	113.4
Druglikeness	0.14612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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