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Chemical ID: 5081019
Chemical ID:
5081019
Name [?]:
3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,6,8,10-pentaen-7-ol
SMILES [?]:
c1nc2c(c(n1)O)nnc(n2)N
InChi [?]:
InChI=1/C5H4N6O/c6-5-9-3-2(10-11-5)4(12)8-1-7-3/h1H,(H3,6,7,8,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,12,2,6,11,8,9,7/rA:12nCNCCCNONNCNN/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s9;s3d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4N6O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.3094 |
Area: | 302.989 |
Solvation: | -2.26533 |
Coulombic: | -54.6248 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 164.125 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | -1.44 |
LogP (Chemaxon): | -0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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