Chemical ID: 5996765

c1cc(ccc1c2nc(on2)C3CCCN3C(=O)C4CCCC4)Cl
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

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Descriptor Annotations

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