Chemical ID: 3966423

c1ccc(cc1)CC(CS)C(=O)NCC(=O)O
Chemical ID:
3966423
Name [?]:
2-(2-benzyl-3-sulfanyl-propanoyl)aminoacetic acid
SMILES [?]:
c1ccc(cc1)CC(CS)C(=O)NCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15NO3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.29305
Area:445.476
Solvation:-2.84385
Coulombic:-50.9343
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:253.318
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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