Chemical ID: 5304216

CCn1c(nnc1SCC(=O)O)COc2ccc(cc2)Cl
Chemical ID:
5304216
Name [?]:
2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
CCn1c(nnc1SCC(=O)O)COc2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H14ClN3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.36016
Area:532.643
Solvation:-3.95591
Coulombic:-46.1298
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.787
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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