Chemical ID: 4771908

c1ccc(c(c1)C(F)(F)F)n2c(noc2=O)c3cccnc3
Chemical ID:
4771908
Name [?]:
3-(3-pyridyl)-4-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)n2c(noc2=O)c3cccnc3
InChi [?]:
InChI=1/C14H8F3N3O2/c15-14(16,17)10-5-1-2-6-11(10)20-12(19-22-13(20)21)9-4-3-7-18-8-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,19,18,6,3,20,22,17,5,4,12,15,7,8,9,10,21,13,11,16,14/E:(15,16,17)/rA:22nCCCCCCCFFFNCNOCOCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s13;s11s14;d15;s12;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F3N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.83059
Area:422.268
Solvation:-2.72612
Coulombic:-49.6314
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.32
LogP (Chemaxon):3.29

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Descriptor Annotations

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