Chemical ID: 6657814

c1ccc(cc1)Nc2ccc(cc2S(=O)(=O)O)N
Chemical ID:
6657814
Name [?]:
5-amino-2-anilino-benzenesulfonic acid
SMILES [?]:
c1ccc(cc1)Nc2ccc(cc2S(=O)(=O)O)N
InChi [?]:
InChI=1/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,9,12,11,4,8,13,18,7,15,16,17,14/E:(2,3)(4,5)(15,16,17)/CRV:18.6/rA:18nCCCCCCNCCCCCCSOOON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;d14;s14;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.35911
Area:425.314
Solvation:-2.27373
Coulombic:-44.5791
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.301
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):1.72

Name Annotations

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Descriptor Annotations

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