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Chemical ID: 5695871
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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