Chemical ID: 3854178

CCn1c(nnc1SCCC(=O)O)COc2ccccc2
Chemical ID:
3854178
Name [?]:
3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
SMILES [?]:
CCn1c(nnc1SCCC(=O)O)COc2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.15118
Area:525.122
Solvation:-3.97686
Coulombic:-46.1357
Bond Count [?]
All:22
Single:16
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.369
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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