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Chemical ID: 5760243
Chemical ID:
5760243
Name [?]:
1-(2,6-dimethylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
Cc1cccc(c1OCC(CN2CCOCC2)O)C
InChi [?]:
InChI=1/C15H23NO3/c1-12-4-3-5-13(2)15(12)19-11-14(17)10-16-6-8-18-9-7-16/h3-5,14,17H,6-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,4,3,5,13,17,14,16,11,9,2,6,10,7,12,18,15,8/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:19cCCCCCCCOCCCNCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.25686 |
Area: | 467.696 |
Solvation: | -5.43554 |
Coulombic: | -37.2788 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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