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Chemical ID: 7244808
Chemical ID:
7244808
Name [?]:
2-[4-(2-chloroacetyl)piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCl
InChi [?]:
InChI=1/C12H20ClN3O2/c13-9-11(17)16-7-5-14(6-8-16)10-12(18)15-3-1-2-4-15/h1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,5,3,10,14,11,13,17,8,15,6,18,9,4,12,16,7/E:(1,2)(3,4)(5,6)(7,8)/rA:18nCCCNCCOCNCCNCCCOCCl/rB:s1;s2;s3;s1s4;s4;d6;s6;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20ClN3O2 |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07608 |
Area: | 462.516 |
Solvation: | -4.4868 |
Coulombic: | -35.0732 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.759 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.45 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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