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Chemical ID: 4482520
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
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Experimental Annotations
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Descriptor Annotations
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