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Chemical ID: 4684763
Chemical ID:
4684763
Name [?]:
1-(1-oxido-2-pyridyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2c3cccc[n+]3[O-]
InChi [?]:
InChI=1/C11H8N4O/c16-14-8-4-3-7-11(14)15-10-6-2-1-5-9(10)12-13-15/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,12,13,6,3,11,14,5,4,10,7,8,15,9,16/CRV:14.5/rA:16nCCCCCCNNNCCCCCN+O-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N4O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -2.74618 |
Area: | 371.543 |
Solvation: | -12.0348 |
Coulombic: | -17.2875 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.208 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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