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Chemical ID: 4507471
Chemical ID:
4507471
Name [?]:
4-[3-(2-ethylphenoxy)propyl]morpholine
SMILES [?]:
CCc1ccccc1OCCCN2CCOCC2
InChi [?]:
InChI=1/C15H23NO2/c1-2-14-6-3-4-7-15(14)18-11-5-8-16-9-12-17-13-10-16/h3-4,6-7H,2,5,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,11,4,7,12,14,18,10,15,17,3,8,13,16,9/E:(9,10)(12,13)/rA:18nCCCCCCCCOCCCNCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96482 |
Area: | 463.148 |
Solvation: | -3.61388 |
Coulombic: | -21.8096 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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