Chemical ID: 5182521

Cc1ccc(cc1)CN(CC(=O)O)S(=O)(=O)C
Chemical ID:
5182521
Name [?]:
2-(methylsulfonyl-(p-tolylmethyl)amino)acetic acid
SMILES [?]:
Cc1ccc(cc1)CN(CC(=O)O)S(=O)(=O)C
InChi [?]:
InChI=1/C11H15NO4S/c1-9-3-5-10(6-4-9)7-12(8-11(13)14)17(2,15)16/h3-6H,7-8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,17,3,7,4,6,8,10,2,5,11,9,12,13,15,16,14/E:(3,4)(5,6)(13,14)(15,16)/CRV:17.6/rA:17cCCCCCCCCNCCOOSOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s9;d14;d14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.27309
Area:420.032
Solvation:-4.2277
Coulombic:-31.4123
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.307
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.19
LogP (Chemaxon):0.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue