Chemical ID: 4123026

Cc1ccc(n1c2ccc(cc2)SCC(=O)O)C
Chemical ID:
4123026
Name [?]:
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid
SMILES [?]:
Cc1ccc(n1c2ccc(cc2)SCC(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15NO2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.61231
Area:454.474
Solvation:-2.74953
Coulombic:-31.4398
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.34
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.02
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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