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Chemical ID: 7245645
Chemical ID:
7245645
Name [?]:
1-ethylsulfonylpiperidine-4-carboxylic acid
SMILES [?]:
CCS(=O)(=O)N1CCC(CC1)C(=O)O
InChi [?]:
InChI=1/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,8,10,7,11,9,12,6,13,14,4,5,3/E:(3,4)(5,6)(10,11)(12,13)/CRV:14.6/rA:14nCCSOONCCCCCCOO/rB:s1;s2;d3;d3;s3;s6;s7;s8;s9;s6s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15NO4S |
All Atoms: | 29 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.93866 |
Area: | 377.023 |
Solvation: | -3.48692 |
Coulombic: | -30.0351 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.275 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.07 |
LogP (Chemaxon): | -0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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