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Chemical ID: 6212705
Chemical ID:
6212705
Name [?]:
1-(2-isopropylphenoxy)-3-morpholino-propan-2-ol
SMILES [?]:
CC(C)c1ccccc1OCC(CN2CCOCC2)O
InChi [?]:
InChI=1/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,5,8,15,19,16,18,13,11,2,12,4,9,14,20,17,10/E:(1,2)(7,8)(9,10)/rA:20cCCCCCCCCCOCCCNCCOCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s12;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.8445 |
Area: | 498.657 |
Solvation: | -5.62192 |
Coulombic: | -37.717 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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