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Chemical ID: 4807724
Chemical ID:
4807724
Name [?]:
(4-methyl-1-piperidyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccccc2c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O2/c1-15-11-13-24(14-12-15)21(25)18-10-6-5-9-17(18)20-22-19(23-26-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,13,12,22,26,14,11,3,7,4,6,2,21,15,10,18,16,8,17,19,5,9,20/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCCCCNCCCOCCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9884 |
Area: | 548.168 |
Solvation: | -2.71577 |
Coulombic: | -32.0365 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.41 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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