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Chemical ID: 4256594
Chemical ID:
4256594
Name [?]:
1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxylic acid
SMILES [?]:
c1cc(sc1S(=O)(=O)N2CCCCC2C(=O)O)Cl
InChi [?]:
InChI=1/C10H12ClNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:12,11,13,2,1,10,14,3,5,15,18,9,16,17,7,8,4,6/E:(13,14)(15,16)/CRV:18.6/rA:18cCCCSCSOONCCCCCCOOCl/rB:s1;d2;s3;d1s4;s5;d6;d6;s6;s9;s10;s11;s12;s9s13;s14;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO4S2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.23252 |
Area: | 429.82 |
Solvation: | -2.51298 |
Coulombic: | -35.7887 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.791 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.77 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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