Chemical ID: 4612006

c1cc(c(cc1Cl)Cl)N2CC(=O)N(CC2=O)c3ccc(cc3Cl)Cl
Chemical ID:
4612006
Name [?]:
1,4-bis(2,4-dichlorophenyl)piperazine-2,5-dione
SMILES [?]:
c1cc(c(cc1Cl)Cl)N2CC(=O)N(CC2=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H10Cl4N2O2/c17-9-1-3-13(11(19)5-9)21-7-16(24)22(8-15(21)23)14-4-2-10(18)6-12(14)20/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,19,2,18,5,21,10,14,6,20,4,22,3,17,15,11,7,24,8,23,9,13,16,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCClClNCCONCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;s9s14;d15;s13;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl4N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5402
Area:551.0
Solvation:-3.23482
Coulombic:-33.8763
Bond Count [?]
All:26
Single:18
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:404.074
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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