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Chemical ID: 4612006
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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