Chemical ID: 6354720

CCOc1ccccc1N2CCN(CC2)C(=O)CCl
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

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Descriptor Annotations

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