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Chemical ID: 6354720
Chemical ID:
6354720
Name [?]:
2-chloro-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-ethanone
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C14H19ClN2O2/c1-2-19-13-6-4-3-5-12(13)16-7-9-17(10-8-16)14(18)11-15/h3-6H,2,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,11,15,12,14,18,9,4,16,19,10,13,17,3/E:(7,8)(9,10)/rA:19nCCOCCCCCCNCCNCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.17313 |
Area: | 478.992 |
Solvation: | -4.80168 |
Coulombic: | -29.2841 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 282.766 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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