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Chemical ID: 5078392
Chemical ID:
5078392
Name [?]:
3-(3-methoxypropylsulfamoyl)benzoic acid
SMILES [?]:
COCCCNS(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C11H15NO5S/c1-17-7-3-6-12-18(15,16)10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,4,13,11,5,3,15,14,10,16,6,17,18,8,9,2,7/E:(13,14)(15,16)/CRV:18.6/rA:18nCOCCCNSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO5S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28792 |
Area: | 471.332 |
Solvation: | -4.49537 |
Coulombic: | -46.4697 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 273.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.65 |
LogP (Chemaxon): | 0.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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