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Chemical ID: 6319097
Chemical ID:
6319097
Name [?]:
3-(2,4-dichlorophenyl)-N-(2,5-dichlorophenyl)-prop-2-enamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)C=CC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H9Cl4NO/c16-10-3-1-9(13(19)7-10)2-6-15(21)20-14-8-11(17)4-5-12(14)18/h1-8H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,9,1,17,18,10,5,15,3,6,16,19,4,14,11,7,21,20,8,13,12/rA:21nCCCCCCClClCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;w9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl4NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7168 |
Area: | 537.064 |
Solvation: | -1.70977 |
Coulombic: | -24.5123 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.049 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.75 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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