Chemical ID: 7121890

Cc1ccc2c(c1)sc(c2Cl)C(=O)[O-]
Chemical ID:
7121890
Name [?]:
3-chloro-6-methyl-benzothiophene-2-carboxylate
SMILES [?]:
Cc1ccc2c(c1)sc(c2Cl)C(=O)[O-]
InChi [?]:
InChI=1/C10H7ClO2S/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,10,9,12,11,13,14,8/E:(12,13)/rA:14nCCCCCCCSCCClCOO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6ClO2S-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-32.582
Area:369.099
Solvation:-41.8095
Coulombic:-3.23447
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.672
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.5
LogP (Chemaxon):3.34

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