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Chemical ID: 4748987
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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