Chemical ID: 6710681

COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)[O-]
Chemical ID:
6710681
Name [?]:
1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N2CCC(CC2)C(=O)[O-]
InChi [?]:
InChI=1/C13H17NO5S/c1-19-11-2-4-12(5-3-11)20(17,18)14-8-6-10(7-9-14)13(15)16/h2-5,10H,6-9H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,8,5,7,14,16,13,17,15,3,6,18,12,19,20,10,11,2,9/E:(2,3)(4,5)(6,7)(8,9)(15,16)(17,18)/CRV:20.6/rA:20nCOCCCCCCSOONCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16NO5S-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-33.494
Area:469.702
Solvation:-45.2365
Coulombic:-12.4096
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.336
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.46
LogP (Chemaxon):0.97

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