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Chemical ID: 7205918
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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Experimental Annotations
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Descriptor Annotations
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