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Chemical ID: 5771350
Chemical ID:
5771350
Name [?]:
1-(4-butoxyphenyl)-3-morpholino-propan-1-one
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)CCN2CCOCC2
InChi [?]:
InChI=1/C17H25NO3/c1-2-3-12-21-16-6-4-15(5-7-16)17(19)8-9-18-10-13-20-14-11-18/h4-7H,2-3,8-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,7,11,14,15,17,21,4,18,20,9,6,12,16,13,19,5/E:(4,5)(6,7)(10,11)(13,14)/rA:21nCCCCOCCCCCCCOCCNCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7685 |
Area: | 531.071 |
Solvation: | -4.50827 |
Coulombic: | -29.0851 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.385 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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