Chemical ID: 7200299

Cc1ccc(cc1S(=O)(=O)NCCCO)C(=O)[O-]
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

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Descriptor Annotations

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