Chemical ID: 5988516

CCCCCC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)Cl
Chemical ID:
5988516
Name [?]:
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one
SMILES [?]:
CCCCCC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-2-3-4-5-17(24)23-12-10-15(11-13-23)19-21-18(22-25-19)14-6-8-16(20)9-7-14/h6-9,15H,2-5,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,20,24,21,23,10,12,9,13,19,11,22,6,16,14,25,15,17,8,7,18/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.5391
Area:608.777
Solvation:-2.68029
Coulombic:-29.3147
Bond Count [?]
All:27
Single:21
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:361.866
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.82
LogP (Chemaxon):4.08

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Descriptor Annotations

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