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Chemical ID: 4515630
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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