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Chemical ID: 6047387
Chemical ID:
6047387
Name [?]:
2-[(2-ethoxyphenoxy)-phenyl-methyl]morpholine
SMILES [?]:
CCOc1ccccc1OC(c2ccccc2)C3CNCCO3
InChi [?]:
InChI=1/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,6,7,13,17,5,8,21,22,19,12,4,9,18,11,20,3,23,10/E:(4,5)(8,9)/rA:23cCCOCCCCCCOCCCCCCCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.00704 |
Area: | 514.321 |
Solvation: | -4.85097 |
Coulombic: | -35.5407 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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