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Chemical ID: 6697381
Chemical ID:
6697381
Name [?]:
4-sulfamoylbenzoate
SMILES [?]:
c1cc(ccc1C(=O)[O-])S(=O)(=O)N
InChi [?]:
InChI=1/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,13,8,9,11,12,10/E:(1,2)(3,4)(9,10)(11,12)/CRV:13.6/rA:13nCCCCCCCOO-SOON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6NO4S- |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.6304 |
Area: | 348.952 |
Solvation: | -42.3542 |
Coulombic: | -18.0055 |
Bond Count [?]
All: | 13 |
Single: | 7 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.193 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.38 |
LogP (Chemaxon): | 0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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