Chemical ID: 6694908

c1cc(c(cc1n2cnnn2)O)C(=O)O
Chemical ID:
6694908
Name [?]:
2-hydroxy-4-tetrazol-1-yl-benzoic acid
SMILES [?]:
c1cc(c(cc1n2cnnn2)O)C(=O)O
InChi [?]:
InChI=1/C8H6N4O3/c13-7-3-5(12-4-9-10-11-12)1-2-6(7)8(14)15/h1-4,13H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,6,3,4,13,9,10,11,7,12,14,15/E:(14,15)/rA:15nCCCCCCNCNNNOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s4;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N4O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.36146
Area:363.813
Solvation:-3.73386
Coulombic:-45.8114
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.158
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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