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Chemical ID: 5089870
Chemical ID:
5089870
Name [?]:
2-(1-methyl-6-phenacyl-2-piperidyl)-1-phenyl-ethanone
SMILES [?]:
CN1C(CCCC1CC(=O)c2ccccc2)CC(=O)c3ccccc3
InChi [?]:
InChI=1/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,23,13,15,22,24,5,12,16,21,25,6,4,8,17,11,20,7,3,9,18,2,10,19/E:(2,3)(4,5,6,7)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(24,25)/rA:25cCNCCCCCCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s3;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2193 |
Area: | 552.052 |
Solvation: | -3.58203 |
Coulombic: | -23.0288 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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