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Chemical ID: 6704872
Chemical ID:
6704872
Name [?]:
2-(4-methoxyphenyl)sulfonylaminopropanoate
SMILES [?]:
CC(C(=O)[O-])NS(=O)(=O)c1ccc(cc1)OC
InChi [?]:
InChI=1/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,12,14,11,15,2,13,10,3,6,4,5,8,9,16,7/E:(3,4)(5,6)(12,13)(14,15)/CRV:17.6/rA:17cCCCOO-NSOOCCCCCCOC/rB:s1;s2;d3;s3;s2;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12NO5S- |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.2363 |
Area: | 424.68 |
Solvation: | -42.8533 |
Coulombic: | -21.6401 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 258.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.21 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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