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Chemical ID: 4730696
Chemical ID:
4730696
Name [?]:
2-chloro-1-[4-(2-methoxyphenyl)-1-piperidyl]-ethanone
SMILES [?]:
COc1ccccc1C2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C14H18ClNO2/c1-18-13-5-3-2-4-12(13)11-6-8-16(9-7-11)14(17)10-15/h2-5,11H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,10,14,11,13,17,9,8,3,15,18,12,16,2/E:(6,7)(8,9)/rA:18nCOCCCCCCCCCNCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68422 |
Area: | 455.074 |
Solvation: | -3.69264 |
Coulombic: | -24.0278 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.751 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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