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Chemical ID: 7656309
Chemical ID:
7656309
Name [?]:
None
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)CCC(=O)O
InChi [?]:
InChI=1/C13H19NO4S/c1-3-14(4-2)19(17,18)12-8-5-11(6-9-12)7-10-13(15)16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,13,15,10,14,16,12,9,17,3,18,19,7,8,6/E:(1,2)(3,4)(5,6)(8,9)(15,16)(17,18)/CRV:19.6/rA:19nCCNCCSOOCCCCCCCCCOO/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO4S |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.87278 |
Area: | 477.17 |
Solvation: | -3.05647 |
Coulombic: | -33.6056 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.55 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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