Chemical ID: 5098405

c1cc(sc1C(C2CC2)(C(=O)O)N)Br
Chemical ID:
5098405
Name [?]:
2-amino-2-(5-bromo-2-thienyl)-2-cyclopropyl-acetic acid
SMILES [?]:
c1cc(sc1C(C2CC2)(C(=O)O)N)Br
InChi [?]:
InChI=1/C9H10BrNO2S/c10-7-4-3-6(14-7)9(11,8(12)13)5-1-2-5/h3-5H,1-2,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:8,9,1,2,7,5,3,10,6,14,13,11,12,4/E:(1,2)(12,13)/rA:14cCCCSCCCCCCOONBr/rB:s1;d2;s3;d1s4;s5;s6;s7;s7s8;s6;d10;s10;s6;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10BrNO2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.66346
Area:382.752
Solvation:-1.90534
Coulombic:-41.0698
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.151
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.46
LogP (Chemaxon):-0.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue