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Chemical ID: 4763597
Chemical ID:
4763597
Name [?]:
methyl 3-(1-methylimidazol-4-yl)sulfonyloxythiophene-2-carboxylate
SMILES [?]:
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
InChi [?]:
InChI=1/C10H10N2O5S2/c1-12-5-8(11-6-12)19(14,15)17-7-3-4-18-9(7)10(13)16-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,12,13,3,6,11,4,15,16,5,2,17,8,9,18,10,14,7/E:(14,15)/CRV:19.6/rA:19nCNCCNCSOOOCCCSCCOOC/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O5S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68529 |
Area: | 434.975 |
Solvation: | -3.18908 |
Coulombic: | -40.0475 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.84 |
LogP (Chemaxon): | 0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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