Chemical ID: 4771909

c1cc(cc(c1)n2c(noc2=O)c3cccnc3)C(F)(F)F
Chemical ID:
4771909
Name [?]:
3-(3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILES [?]:
c1cc(cc(c1)n2c(noc2=O)c3cccnc3)C(F)(F)F
InChi [?]:
InChI=1/C14H8F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)20-12(19-22-13(20)21)9-3-2-6-18-8-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,15,14,2,6,16,4,18,13,3,5,8,11,19,20,21,22,17,9,7,12,10/E:(15,16,17)/rA:22nCCCCCCNCNOCOCCCCNCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7s10;d11;s8;s13;d14;s15;d16;d13s17;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8F3N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.09005
Area:443.42
Solvation:-2.99545
Coulombic:-49.6703
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

Name Annotations

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Descriptor Annotations

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