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

Formula:C12H10N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one
MolecularFormula	C12H10N4O3S
Smiles	Nc1nc(SCC(c(ccc(O)c2)c2O2)=CC2=O)n[nH]1
InChI	InChI=1S/C12H10N4O3S/c13-11-14-12(16-15-11)20-5-6-3-10(18)19-9-4-7(17)1-2-8(6)9/h1-4,17H,5H2,(H3,13,14,15,16)
InChIK	QHZZECNQPFRGII-UHFFFAOYSA-N
TotalMolweight	290.302
Molweight	290.302
MonoisotopicMass	290.047361
CLogP	0.5907
CLogS	-2.581
H Acceptors	7
H Donors	3
TotalSurfaceArea	205.19
Relative PSA	0.51089
PolarSurfaceArea	139.42
Druglikeness	0.096997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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