Chemical ID: 5227246

c1nc2c(s1)c(nc(n2)N)O
Chemical ID:
5227246
Name [?]:
3-amino-7-thia-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-5-ol
SMILES [?]:
c1nc2c(s1)c(nc(n2)N)O
InChi [?]:
InChI=1/C5H4N4OS/c6-5-8-3-2(4(10)9-5)11-1-7-3/h1H,(H3,6,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,4,3,6,8,10,2,9,7,11,5/rA:11nCNCCSCNCNNO/rB:d1;s2;s3;s1s4;d4;s6;d7;d3s8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N4OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.56396
Area:303.522
Solvation:-2.02408
Coulombic:-49.9046
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.178
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.61
LogP (Chemaxon):0.82

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