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Chemical ID: 5259888
Chemical ID:
5259888
Name [?]:
9-methoxy-7,8,10-triazabicyclo[4.4.0]deca-2,4,6,8,10-pentaene
SMILES [?]:
COc1nc2ccccc2nn1
InChi [?]:
InChI=1/C8H7N3O/c1-12-8-9-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,10,3,4,11,12,2/rA:12nCOCNCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04308 |
Area: | 311.262 |
Solvation: | -1.73847 |
Coulombic: | -21.876 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.161 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.47 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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