Chemical ID: 5119390

CC(c1ccc(s1)Br)N2CCCC(C2)C(=O)O
Chemical ID:
5119390
Name [?]:
1-[1-(5-bromo-2-thienyl)ethyl]piperidine-3-carboxylic acid
SMILES [?]:
CC(c1ccc(s1)Br)N2CCCC(C2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16BrNO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:8.69962
Area:440.036
Solvation:-2.30127
Coulombic:-32.2232
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.231
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.7
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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