Chemical ID: 7726883

Cn1cc(c(=O)n(c1=O)C)S(=O)(=O)Oc2ccccc2
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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