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Chemical ID: 4248791
Chemical ID:
4248791
Name [?]:
1-[4-(3-morpholinopropoxy)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCN2CCOCC2
InChi [?]:
InChI=1/C15H21NO3/c1-13(17)14-3-5-15(6-4-14)19-10-2-7-16-8-11-18-12-9-16/h3-6H,2,7-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,5,9,6,8,13,15,19,11,16,18,2,4,7,14,3,17,10/E:(3,4)(5,6)(8,9)(11,12)/rA:19nCCOCCCCCCOCCCNCCOCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14053 |
Area: | 479.894 |
Solvation: | -4.85683 |
Coulombic: | -27.8176 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.59 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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