Chemical ID: 5996788

c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4Cl)Cl
Chemical ID:
5996788
Name [?]:
(2,4-dichlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2N3O2/c20-13-8-9-14(15(21)11-13)19(25)24-10-4-7-16(24)18-22-17(23-26-18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,16H,4,7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,21,20,15,23,4,22,19,24,12,7,9,17,26,25,8,11,16,18,10/E:(2,3)(5,6)/rA:26cCCCCCCCNCONCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15Cl2N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.7257
Area:582.531
Solvation:-2.83762
Coulombic:-31.9499
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

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Descriptor Annotations

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