Chemical ID: 5181602

c1ccc(cc1)OCc2nnc(n2N)SCC(=O)O
Chemical ID:
5181602
Name [?]:
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
c1ccc(cc1)OCc2nnc(n2N)SCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12N4O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.55292
Area:477.406
Solvation:-4.38223
Coulombic:-56.1324
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:280.304
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.92
LogP (Chemaxon):-1.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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