Chemical ID: 3995107

c1cc(c(cc1S(=O)(=O)NCC(=O)O)Cl)Cl
Chemical ID:
3995107
Name [?]:
2-(3,4-dichlorophenyl)sulfonylaminoacetic acid
SMILES [?]:
c1cc(c(cc1S(=O)(=O)NCC(=O)O)Cl)Cl
InChi [?]:
InChI=1/C8H7Cl2NO4S/c9-6-2-1-5(3-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,11,6,3,4,12,16,15,10,13,14,8,9,7/E:(12,13)(14,15)/CRV:16.6/rA:16nCCCCCCSOONCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7Cl2NO4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.81609
Area:440.65
Solvation:-3.20017
Coulombic:-38.1376
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.117
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.5
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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