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Chemical ID: 4247464
Chemical ID:
4247464
Name [?]:
1-[2-(2-cyclopentylaminoethoxy)phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccccc1OCCNC2CCCC2
InChi [?]:
InChI=1/C16H23NO2/c1-2-15(18)14-9-5-6-10-16(14)19-12-11-17-13-7-3-4-8-13/h5-6,9-10,13,17H,2-4,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,7,8,16,19,6,9,13,12,15,5,3,10,14,4,11/E:(3,4)(7,8)/rA:19nCCCOCCCCCCOCCNCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86249 |
Area: | 477.244 |
Solvation: | -4.06862 |
Coulombic: | -23.8408 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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