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Chemical ID: 6131376
Chemical ID:
6131376
Name [?]:
1-(3-methylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C14H21NO3/c1-12-3-2-4-14(9-12)18-11-13(16)10-15-5-7-17-8-6-15/h2-4,9,13,16H,5-8,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,13,17,14,16,7,11,9,2,10,6,12,18,15,8/E:(5,6)(7,8)/rA:18cCCCCCCCOCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.68133 |
Area: | 456.517 |
Solvation: | -5.73161 |
Coulombic: | -36.879 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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