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Chemical ID: 6156873
Chemical ID:
6156873
Name [?]:
2,3-diphenyl-N-(2,4,5-trichlorophenyl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl3NO/c22-17-12-19(24)20(13-18(17)23)25-21(26)16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,7,22,19,4,9,8,21,20,23,18,15,25,26,24,17,16/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCCCCCCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14Cl3NO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9374 |
Area: | 585.314 |
Solvation: | -1.69541 |
Coulombic: | -26.9365 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.7 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.99 |
LogP (Chemaxon): | 6.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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