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Chemical ID: 3995107
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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