Chemical ID: 6916198

c1cc(ccc1CSCC(C(=O)O)N)Br
Chemical ID:
6916198
Name [?]:
2-amino-3-[(4-bromophenyl)methylsulfanyl]propanoic acid
SMILES [?]:
c1cc(ccc1CSCC(C(=O)O)N)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H12BrNO2S
All Atoms:27
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.49123
Area:434.909
Solvation:-2.38148
Coulombic:-41.0826
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.178
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.03
LogP (Chemaxon):-0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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