Chemical ID: 7656309

CCN(CC)S(=O)(=O)c1ccc(cc1)CCC(=O)O
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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Descriptor Annotations

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