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Chemical ID: 6137965
Chemical ID:
6137965
Name [?]:
2-(4-chlorophenyl)-1-(2-ethyl-1-piperidyl)-ethanone
SMILES [?]:
CCC1CCCCN1C(=O)Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H20ClNO/c1-2-14-5-3-4-10-17(14)15(18)11-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,13,17,14,16,7,11,12,15,3,9,18,8,10/E:(6,7)(8,9)/rA:18cCCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.47589 |
Area: | 456.425 |
Solvation: | -1.93473 |
Coulombic: | -17.7911 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 265.778 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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