Chemical ID: 4482520

c1ccc2cc(ccc2c1)c3nc(no3)c4ccccn4
Chemical ID:
4482520
Name [?]:
2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine
SMILES [?]:
c1ccc2cc(ccc2c1)c3nc(no3)c4ccccn4
InChi [?]:
InChI=1/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,18,19,10,3,17,8,7,20,5,9,4,6,16,13,11,21,12,14,15/rA:21nCCCCCCCCCCCNCNOCCCCCN/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.84596
Area:468.321
Solvation:-1.86205
Coulombic:-20.9512
Bond Count [?]
All:24
Single:14
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.289
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.21
LogP (Chemaxon):4.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue