Chemical ID: 5996744

c1ccc(c(c1)C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl)Cl
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

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Descriptor Annotations

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