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Chemical ID: 7726883
Chemical ID:
7726883
Name [?]:
None
SMILES [?]:
Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Oc2ccccc2
InChi [?]:
InChI=1/C12H12N2O5S/c1-13-8-10(11(15)14(2)12(13)16)20(17,18)19-9-6-4-3-5-7-9/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,18,17,19,16,20,3,15,4,5,8,2,7,6,9,12,13,14,11/E:(4,5)(6,7)(17,18)/CRV:20.6/rA:20nCNCCCONCOCSOOOCCCCCC/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O5S |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.53335 |
Area: | 432.194 |
Solvation: | -3.2715 |
Coulombic: | -42.824 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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