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Chemical ID: 4910003
Chemical ID:
4910003
Name [?]:
5-hydroxy-2,6,7,8-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-one
SMILES [?]:
c1c(=O)[nH]c2cnnn2c1O
InChi [?]:
InChI=1/C5H4N4O2/c10-4-1-5(11)9-3(7-4)2-6-8-9/h1-2,11H,(H,7,10)
InChi Info:
AuxInfo=1/1/N:1,6,5,2,10,7,4,8,9,3,11/rA:11nCCONCCNNNCO/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;d1s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H4N4O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.33717 |
Area: | 286.666 |
Solvation: | -3.82948 |
Coulombic: | -38.0875 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.111 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.67 |
LogP (Chemaxon): | -0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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