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Chemical ID: 4178628
Chemical ID:
4178628
Name [?]:
4-[(3-ethoxy-4-methoxy-phenyl)methyl]morpholine
SMILES [?]:
CCOc1cc(ccc1OC)CN2CCOCC2
InChi [?]:
InChI=1/C14H21NO3/c1-3-18-14-10-12(4-5-13(14)16-2)11-15-6-8-17-9-7-15/h4-5,10H,3,6-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,8,14,18,15,17,5,12,6,9,4,13,10,16,3/E:(6,7)(8,9)/rA:18nCCOCCCCCCOCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.3732 |
Area: | 449.339 |
Solvation: | -5.86027 |
Coulombic: | -27.3398 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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