Chemical ID: 5695871

c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C=C(C#N)C(=O)Nc3cccc(c3Cl)Cl
Chemical ID:
5695871
Name [?]:
2-cyano-N-(2,3-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)-2-furyl]-prop-2-enamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C=C(C#N)C(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C20H10Cl4N2O2/c21-14-4-1-3-13(18(14)23)17-8-7-12(28-17)9-11(10-25)20(27)26-16-6-2-5-15(22)19(16)24/h1-9H,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,24,22,11,10,14,16,15,12,3,5,25,21,9,4,26,18,7,28,8,27,17,20,19,13/rA:28nCCCCCCClClCCCCOCCCNCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s10;d11;s9s12;s12;w14;s15;t16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H10Cl4N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0909
Area:639.026
Solvation:-2.88478
Coulombic:-34.9295
Bond Count [?]
All:30
Single:19
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:452.116
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.06
LogP (Chemaxon):5.36

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