Chemical ID: 6710677

c1cc(ccc1S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl
Chemical ID:
6710677
Name [?]:
1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
SMILES [?]:
c1cc(ccc1S(=O)(=O)N2CCC(CC2)C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-10-1-3-11(4-2-10)19(17,18)14-7-5-9(6-8-14)12(15)16/h1-4,9H,5-8H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,14,11,15,13,3,6,16,19,10,17,18,8,9,7/E:(1,2)(3,4)(5,6)(7,8)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClNO4S-
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-32.0951
Area:468.094
Solvation:-43.7974
Coulombic:-6.35542
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.755
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.17
LogP (Chemaxon):1.74

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