Chemical ID: 6760102

c1cc(ccc1S(=O)(=O)N2CCCC(C2)C(=O)[O-])Cl
Chemical ID:
6760102
Name [?]:
1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
SMILES [?]:
c1cc(ccc1S(=O)(=O)N2CCCC(C2)C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-10-3-5-11(6-4-10)19(17,18)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:12,13,2,4,1,5,11,15,14,3,6,16,19,10,17,18,8,9,7/E:(3,4)(5,6)(15,16)(17,18)/CRV:19.6/rA:19cCCCCCCSOONCCCCCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s14;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClNO4S-
All Atoms:32
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-31.716
Area:465.608
Solvation:-43.3562
Coulombic:-7.76947
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):1.89

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Descriptor Annotations

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