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Chemical ID: 6130068
Chemical ID:
6130068
Name [?]:
4-(2-phenoxy-2-phenyl-ethyl)morpholine
SMILES [?]:
c1ccc(cc1)C(CN2CCOCC2)Oc3ccccc3
InChi [?]:
InChI=1/C18H21NO2/c1-3-7-16(8-4-1)18(15-19-11-13-20-14-12-19)21-17-9-5-2-6-10-17/h1-10,18H,11-15H2
InChi Info:
AuxInfo=1/0/N:1,19,2,6,18,20,3,5,17,21,10,14,11,13,8,4,16,7,9,12,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21cCCCCCCCCNCCOCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s7;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.25988 |
Area: | 477.926 |
Solvation: | -3.68828 |
Coulombic: | -24.0879 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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