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Chemical ID: 4806740
Chemical ID:
4806740
Name [?]:
N-cyclohexyl-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)c2nc(no2)c3ccccc3F)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C21H20FN3O2/c22-18-13-7-6-12-17(18)19-24-21(27-25-19)16-11-5-4-10-15(16)20(26)23-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:25,24,26,2,1,14,15,23,27,3,6,13,16,22,4,5,12,17,9,19,7,18,21,8,10,20,11/E:(2,3)(8,9)/rA:27nCCCCCCCNCNOCCCCCCFCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s17;s4;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20FN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3709 |
Area: | 565.407 |
Solvation: | -3.76425 |
Coulombic: | -39.3613 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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