Chemical ID: 4515630

C1CN(CCN1C(=O)CCl)C(=O)CCl
Chemical ID:
4515630
Name [?]:
2-chloro-1-[4-(2-chloroacetyl)piperazin-1-yl]-ethanone
SMILES [?]:
C1CN(CCN1C(=O)CCl)C(=O)CCl
InChi [?]:
InChI=1/C8H12Cl2N2O2/c9-5-7(13)11-1-2-12(4-3-11)8(14)6-10/h1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,5,4,9,13,7,11,10,14,6,3,8,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCNCCNCOCClCOCCl/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s9;s3;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12Cl2N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.97649
Area:403.538
Solvation:-4.11196
Coulombic:-30.1166
Bond Count [?]
All:14
Single:12
Double:2
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.099
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.24
LogP (Chemaxon):-0.25

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Descriptor Annotations

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