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Chemical ID: 7243804
Chemical ID:
7243804
Name [?]:
5-(ethylsulfamoyl)-2-methyl-benzoic acid
SMILES [?]:
CCNS(=O)(=O)c1ccc(c(c1)C(=O)O)C
InChi [?]:
InChI=1/C10H13NO4S/c1-3-11-16(14,15)8-5-4-7(2)9(6-8)10(12)13/h4-6,11H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,16,2,9,8,12,10,7,11,13,3,14,15,5,6,4/E:(12,13)(14,15)/CRV:16.6/rA:16nCCNSOOCCCCCCCOOC/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO4S |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.68935 |
Area: | 410.695 |
Solvation: | -2.57801 |
Coulombic: | -39.3012 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.35 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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