Chemical ID: 3854166

CCn1c(nnc1SCC(=O)O)COc2ccccc2
Chemical ID:
3854166
Name [?]:
2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
CCn1c(nnc1SCC(=O)O)COc2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N3O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.49418
Area:497.086
Solvation:-3.93298
Coulombic:-46.2943
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:293.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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