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Chemical ID: 5500310
Chemical ID:
5500310
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-[5-(3-chloro-4-methyl-phenyl)-2-furyl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1Cl)c2ccc(o2)C=CC(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C21H17Cl2NO2/c1-13-6-7-15(12-18(13)23)20-10-8-16(26-20)9-11-21(25)24-19-5-3-4-17(22)14(19)2/h3-12H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,25,21,22,20,3,4,11,14,10,15,6,2,24,5,12,23,7,19,9,16,26,8,18,17,13/rA:26nCCCCCCCClCCCCOCCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;w14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3444 |
Area: | 589.168 |
Solvation: | -3.38483 |
Coulombic: | -29.5248 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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