ChemDB: Chemical Search
Download
Chemical ID: 5996744
Chemical ID:
5996744
Name [?]:
(2-chlorophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2N3O2/c20-13-9-7-12(8-10-13)17-22-18(26-23-17)16-6-3-11-24(16)19(25)14-4-1-2-5-15(14)21/h1-2,4-5,7-10,16H,3,6,11H2
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,12,20,24,21,23,10,19,22,5,4,13,16,14,7,25,26,15,17,9,8,18/E:(7,8)(9,10)/rA:26cCCCCCCCONCCCCCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s9s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7244 |
Area: | 581.004 |
Solvation: | -2.80065 |
Coulombic: | -32.2638 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.27 |
LogP (Chemaxon): | 4.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|