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Chemical ID: 3889044
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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