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Chemical ID: 6489710
Chemical ID:
6489710
Name [?]:
7-amino-9-ethyl-4,8,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene-3,5-diol
SMILES [?]:
CCn1c2cc(nc(c2c(n1)N)O)O
InChi [?]:
InChI=1/C8H10N4O2/c1-2-12-4-3-5(13)10-8(14)6(4)7(9)11-12/h3H,2H2,1H3,(H2,9,11)(H2,10,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,9,10,8,12,7,11,3,14,13/rA:14nCCNCCCNCCCNNOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3d10;s10;s8;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N4O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.40204 |
Area: | 351.335 |
Solvation: | -3.38133 |
Coulombic: | -58.603 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 194.191 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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