Chemical ID: 7205918

c1cc(ccc1C(=O)[O-])S(=O)(=O)NCCCC(=O)[O-]
Chemical ID:
7205918
Name [?]:
4-(3-carboxylatopropylsulfamoyl)benzoate
SMILES [?]:
c1cc(ccc1C(=O)[O-])S(=O)(=O)NCCCC(=O)[O-]
InChi [?]:
InChI=1/C11H13NO6S/c13-10(14)2-1-7-12-19(17,18)9-5-3-8(4-6-9)11(15)16/h3-6,12H,1-2,7H2,(H,13,14)(H,15,16)/p-2
InChi Info:
AuxInfo=1/1/N:15,16,1,5,2,4,14,6,3,17,7,13,18,19,8,9,11,12,10/E:(3,4)(5,6)(13,14)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCCOO-SOONCCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO6S-2
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-86.5223
Area:479.211
Solvation:-98.5026
Coulombic:1.88174
Bond Count [?]
All:19
Single:12
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.274
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:-0.58
LogP (Chemaxon):0.42

Name Annotations

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Descriptor Annotations

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