Chemical ID: 5822039

Cc1cc(ccc1Br)OCC(=O)N2CCOCC2
Chemical ID:
5822039
Name [?]:
2-(4-bromo-3-methyl-phenoxy)-1-morpholino-ethanone
SMILES [?]:
Cc1cc(ccc1Br)OCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H16BrNO3/c1-10-8-11(2-3-12(10)14)18-9-13(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,14,18,15,17,3,10,2,4,7,11,8,13,12,16,9/E:(4,5)(6,7)/rA:18nCCCCCCCBrOCCONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16BrNO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.11406
Area:451.706
Solvation:-5.17859
Coulombic:-31.2791
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:314.175
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.88
LogP (Chemaxon):1.88

Name Annotations

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Descriptor Annotations

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