Chemical ID: 4684763

c1ccc2c(c1)nnn2c3cccc[n+]3[O-]
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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