Chemical ID: 3990322

Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(=O)O
Chemical ID:
3990322
Name [?]:
1-(p-tolylsulfonyl)piperidine-3-carboxylic acid
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C13H17NO4S/c1-10-4-6-12(7-5-10)19(17,18)14-8-2-3-11(9-14)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,3,7,4,6,12,16,2,15,5,17,11,18,19,9,10,8/E:(4,5)(6,7)(15,16)(17,18)/CRV:19.6/rA:19cCCCCCCCSOONCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.68303
Area:454.368
Solvation:-2.67617
Coulombic:-34.1312
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.344
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.46
LogP (Chemaxon):1.84

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Descriptor Annotations

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