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Chemical ID: 6726135
Chemical ID:
6726135
Name [?]:
2-chloro-5-(1-piperidylsulfonyl)benzoate
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(=O)[O-])Cl
InChi [?]:
InChI=1/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,5,6,4,3,16,19,10,17,18,8,9,7/E:(2,3)(6,7)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCSOONCCCCCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s10s14;s4;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13ClNO4S- |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.4367 |
Area: | 455.18 |
Solvation: | -41.8162 |
Coulombic: | -8.40533 |
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: | 1.73 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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