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Chemical ID: 5988678
Chemical ID:
5988678
Name [?]:
3-chloro-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H21ClFN3O2/c1-18(2,11-19)17(24)23-9-3-4-13(10-23)16-21-15(22-25-16)12-5-7-14(20)8-6-12/h5-8,13H,3-4,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,20,24,21,23,9,13,4,19,12,22,16,14,6,2,5,25,15,17,8,7,18/E:(1,2)(5,6)(7,8)/rA:25cCCCCClCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClFN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6868 |
Area: | 557.499 |
Solvation: | -3.25063 |
Coulombic: | -33.1097 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 365.829 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.48 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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