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Chemical ID: 4513021
Chemical ID:
4513021
Name [?]:
5-methyl-6,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-3-ol
SMILES [?]:
Cc1cc(cc2n1nnn2)O
InChi [?]:
InChI=1/C6H6N4O/c1-4-2-5(11)3-6-7-8-9-10(4)6/h2-3,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,5,2,4,6,10,9,8,7,11/rA:11nCCCCCCNNNNO/rB:s1;d2;s3;d4;s5;s2s6;s7;d8;d6s9;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.42729 |
Area: | 292.109 |
Solvation: | -1.87544 |
Coulombic: | -19.9445 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.138 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | -0.42 |
LogP (Chemaxon): | 0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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