4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one

Formula:C12H10N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C12H10N4O4S
Smiles	Nc1nc(SCC(c(cc(c(O)c2)O)c2O2)=CC2=O)n[nH]1
InChI	InChI=1S/C12H10N4O4S/c13-11-14-12(16-15-11)21-4-5-1-10(19)20-9-3-8(18)7(17)2-6(5)9/h1-3,17-18H,4H2,(H3,13,14,15,16)
InChIK	NGSOQKFWGAKDKF-UHFFFAOYSA-N
TotalMolweight	306.301
Molweight	306.301
MonoisotopicMass	306.042276
CLogP	0.245
CLogS	-2.285
H Acceptors	8
H Donors	4
TotalSurfaceArea	211.54
Relative PSA	0.55748
PolarSurfaceArea	159.65
Druglikeness	0.096997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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