Chemical ID: 5461306

CCOc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N2CCOCC2
Chemical ID:
5461306
Name [?]:
4-(4-ethoxy-3-nitro-phenyl)sulfonylmorpholine
SMILES [?]:
CCOc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H16N2O6S/c1-2-20-12-4-3-10(9-11(12)14(15)16)21(17,18)13-5-7-19-8-6-13/h3-4,9H,2,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,17,21,18,20,8,7,9,4,16,10,11,12,14,15,19,3,13/E:(5,6)(7,8)(15,16)(17,18)/CRV:14.5,21.6/rA:21nCCOCCCCCCN+OO-SOONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;d13;d13;s13;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O6S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.365894
Area:484.819
Solvation:-11.7546
Coulombic:-29.877
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.331
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:0.82
LogP (Chemaxon):0.87

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Descriptor Annotations

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