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Chemical ID: 5038025
Chemical ID:
5038025
Name [?]:
3-amino-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-ol
SMILES [?]:
c1c[nH]c2c1c(nc(n2)N)O
InChi [?]:
InChI=1/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,8,10,3,9,7,11/rA:11nCCNCCCNCNNO/rB:d1;s2;s3;s1s4;d5;s6;d7;d4s8;s8;s6;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.27364 |
Area: | 292.438 |
Solvation: | -2.03731 |
Coulombic: | -55.5143 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.138 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 0.84 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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