Chemical ID: 5094664

CN(CS(=O)(=O)O)c1ccccc1
Chemical ID:
5094664
Name [?]:
(methyl-phenyl-amino)methanesulfonic acid
SMILES [?]:
CN(CS(=O)(=O)O)c1ccccc1
InChi [?]:
InChI=1/C8H11NO3S/c1-9(7-13(10,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,13,3,8,2,5,6,7,4/E:(3,4)(5,6)(10,11,12)/CRV:13.6/rA:13cCNCSOOOCCCCCC/rB:s1;s2;s3;d4;d4;s4;s2;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11NO3S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.08954
Area:348.688
Solvation:-2.62765
Coulombic:-22.5793
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.244
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.69
LogP (Chemaxon):1.45

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