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Chemical ID: 4702425
Chemical ID:
4702425
Name [?]:
3-(1,2,4-triazol-1-yl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-ol
SMILES [?]:
c1c(c(n2c(n1)ncn2)O)n3cncn3
InChi [?]:
InChI=1/C7H5N7O/c15-6-5(13-4-8-2-11-13)1-9-7-10-3-12-14(6)7/h1-4,15H
InChi Info:
AuxInfo=1/0/N:1,14,8,12,2,3,5,13,6,7,15,9,11,4,10/rA:15nCCCNCNNCNONCNCN/rB:s1;d2;s3;s4;d1s5;d5;s7;s4d8;s3;s2;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5N7O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.86926 |
Area: | 347.473 |
Solvation: | -3.81756 |
Coulombic: | -42.2415 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.161 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | -0.85 |
LogP (Chemaxon): | -0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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