Chemical ID: 3889044

c1cnccc1c2nnn(n2)CC(=O)O
Chemical ID:
3889044
Name [?]:
2-[5-(4-pyridyl)tetrazol-2-yl]acetic acid
SMILES [?]:
c1cnccc1c2nnn(n2)CC(=O)O
InChi [?]:
InChI=1/C8H7N5O2/c14-7(15)5-13-11-8(10-12-13)6-1-3-9-4-2-6/h1-4H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,6,13,7,3,8,11,9,10,14,15/E:(1,2)(3,4)(14,15)/rA:15nCCNCCCCNNNNCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s10;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N5O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.07168
Area:377.13
Solvation:-3.35657
Coulombic:-34.9067
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.174
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.35
LogP (Chemaxon):-0.56

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Descriptor Annotations

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