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Chemical ID: 7200299
Chemical ID:
7200299
Name [?]:
3-(3-hydroxypropylsulfamoyl)-4-methyl-benzoate
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)NCCCO)C(=O)[O-]
InChi [?]:
InChI=1/C11H15NO5S/c1-8-3-4-9(11(14)15)7-10(8)18(16,17)12-5-2-6-13/h3-4,7,12-13H,2,5-6H2,1H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,13,3,4,12,14,6,2,5,7,16,11,15,17,18,9,10,8/E:(14,15)(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s5;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14NO5S- |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.3347 |
Area: | 452.702 |
Solvation: | -43.6522 |
Coulombic: | -30.2487 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.299 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.12 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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