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Chemical ID: 5996765
Chemical ID:
5996765
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentyl-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN3C(=O)C4CCCC4)Cl
InChi [?]:
InChI=1/C18H20ClN3O2/c19-14-9-7-12(8-10-14)16-20-17(24-21-16)15-6-3-11-22(15)18(23)13-4-1-2-5-13/h7-10,13,15H,1-6,11H2
InChi Info:
AuxInfo=1/0/N:21,22,14,20,23,13,1,5,2,4,15,6,19,3,12,7,9,17,24,8,11,16,18,10/E:(1,2)(4,5)(7,8)(9,10)/rA:24cCCCCCCCNCONCCCCNCOCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;s21;s19s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClN3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2692 |
Area: | 553.127 |
Solvation: | -2.55898 |
Coulombic: | -30.1798 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 345.823 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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