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Chemical ID: 4247959
Chemical ID:
4247959
Name [?]:
1-[2-(2-diethylaminoethoxy)phenyl]ethanone
SMILES [?]:
CCN(CC)CCOc1ccccc1C(=O)C
InChi [?]:
InChI=1/C14H21NO2/c1-4-15(5-2)10-11-17-14-9-7-6-8-13(14)12(3)16/h6-9H,4-5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,17,2,4,12,11,13,10,6,7,15,14,9,3,16,8/E:(1,2)(4,5)/rA:17nCCNCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.99486 |
Area: | 439.443 |
Solvation: | -4.99122 |
Coulombic: | -18.1467 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.48 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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