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Chemical ID: 6156879
Chemical ID:
6156879
Name [?]:
N-(2,5-dichlorophenyl)-2,3-diphenyl-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2NO/c22-17-11-12-19(23)20(14-17)24-21(25)18(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-14H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,21,22,7,19,4,9,20,8,23,18,15,25,24,17,16/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15Cl2NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2825 |
Area: | 557.518 |
Solvation: | -1.65549 |
Coulombic: | -27.2008 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.37 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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