Chemical ID: 5155696

c1ccc(cc1)Cn2nc(nn2)C(=O)O
Chemical ID:
5155696
Name [?]:
2-benzyltetrazole-5-carboxylic acid
SMILES [?]:
c1ccc(cc1)Cn2nc(nn2)C(=O)O
InChi [?]:
InChI=1/C9H8N4O2/c14-9(15)8-10-12-13(11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,10,13,11,9,12,8,14,15/E:(2,3)(4,5)(14,15)/rA:15nCCCCCCCNNCNNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.42388
Area:379.701
Solvation:-2.06866
Coulombic:-35.7133
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.186
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.6
LogP (Chemaxon):1.97

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Descriptor Annotations

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