Chemical ID: 5103403

c1cc(sc1CC(C(=O)O)N)Br
Chemical ID:
5103403
Name [?]:
2-amino-3-(5-bromo-2-thienyl)-propanoic acid
SMILES [?]:
c1cc(sc1CC(C(=O)O)N)Br
InChi [?]:
InChI=1/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,7,3,8,12,11,9,10,4/E:(10,11)/rA:12cCCCSCCCCOONBr/rB:s1;d2;s3;d1s4;s5;s6;s7;d8;s8;s7;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8BrNO2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.02226
Area:363.852
Solvation:-2.07405
Coulombic:-39.5845
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.114
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.89
LogP (Chemaxon):-1.21

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