Chemical ID: 6658341

Cc1ccc(cc1)S(=O)(=O)NCCCCC(C(=O)O)N
Chemical ID:
6658341
Name [?]:
2-amino-6-(p-tolylsulfonylamino)hexanoic acid
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCCCCC(C(=O)O)N
InChi [?]:
InChI=1/C13H20N2O4S/c1-10-5-7-11(8-6-10)20(18,19)15-9-3-2-4-12(14)13(16)17/h5-8,12,15H,2-4,9,14H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,7,4,6,12,2,5,16,17,20,11,18,19,9,10,8/E:(5,6)(7,8)(16,17)(18,19)/CRV:20.6/rA:20cCCCCCCCSOONCCCCCCOON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.75167
Area:518.242
Solvation:-3.20438
Coulombic:-51.8998
Bond Count [?]
All:20
Single:14
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:300.375
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-1.07
LogP (Chemaxon):-1.06

Name Annotations

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Descriptor Annotations

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