Chemical ID: 4748987

c1csc2c1c(nnc2O)N
Chemical ID:
4748987
Name [?]:
5-amino-9-thia-3,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-2-ol
SMILES [?]:
c1csc2c1c(nnc2O)N
InChi [?]:
InChI=1/C6H5N3OS/c7-5-3-1-2-11-4(3)6(10)9-8-5/h1-2H,(H2,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,9,11,7,8,10,3/rA:11nCCSCCCNNCON/rB:d1;s2;s3;s1s4;d5;s6;d7;d4s8;s9;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.57327
Area:305.061
Solvation:-2.05325
Coulombic:-37.785
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:167.19
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.52
LogP (Chemaxon):0.78

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Descriptor Annotations

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