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Chemical ID: 5988352
Chemical ID:
5988352
Name [?]:
1-adamantyl-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)C45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C24H28ClN3O2/c25-20-5-1-3-18(10-20)21-26-22(30-27-21)19-4-2-6-28(14-19)23(29)24-11-15-7-16(12-24)9-17(8-15)13-24/h1,3,5,10,15-17,19H,2,4,6-9,11-14H2
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,24,27,29,4,26,22,30,18,25,23,28,3,13,5,8,10,19,21,7,9,12,17,20,11/E:(7,8,9)(11,12,13)(15,16,17)/rA:30cCCCCCCClCNCONCCCCNCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1744 |
Area: | 618.849 |
Solvation: | -2.29682 |
Coulombic: | -30.6677 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 425.951 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.82 |
LogP (Chemaxon): | 4.93 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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