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Chemical ID: 4224635
Chemical ID:
4224635
Name [?]:
4-[3-(2-isopropylphenoxy)propyl]morpholine
SMILES [?]:
CC(C)c1ccccc1OCCCN2CCOCC2
InChi [?]:
InChI=1/C16H25NO2/c1-14(2)15-6-3-4-7-16(15)19-11-5-8-17-9-12-18-13-10-17/h3-4,6-7,14H,5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,12,5,8,13,15,19,11,16,18,2,4,9,14,17,10/E:(1,2)(9,10)(12,13)/rA:19nCCCCCCCCCOCCCNCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53618 |
Area: | 485.509 |
Solvation: | -3.60155 |
Coulombic: | -22.1711 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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