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Chemical ID: 6365387
Chemical ID:
6365387
Name [?]:
2,2,2-trichloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)-ethanone
SMILES [?]:
c1cnc(nc1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C10H11Cl3N4O/c11-10(12,13)8(18)16-4-6-17(7-5-16)9-14-2-1-3-15-9/h1-3H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,11,8,12,13,4,15,16,17,18,3,5,10,7,14/E:(2,3)(4,5)(6,7)(11,12,13)(14,15)/rA:18nCCNCNCNCCNCCCOCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11Cl3N4O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79868 |
Area: | 450.769 |
Solvation: | -2.47054 |
Coulombic: | -38.4299 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.579 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.21 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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