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Chemical ID: 6640224
Chemical ID:
6640224
Name [?]:
3-benzyl-5-chloro-N-(2,6-dichlorophenyl)-2-hydroxy-benzamide
SMILES [?]:
c1ccc(cc1)Cc2cc(cc(c2O)C(=O)Nc3c(cccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C20H14Cl3NO2/c21-14-10-13(9-12-5-2-1-3-6-12)19(25)15(11-14)20(26)24-18-16(22)7-4-8-17(18)23/h1-8,10-11,25H,9H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,3,5,20,22,7,9,11,4,8,10,12,19,23,18,13,15,26,25,24,17,14,16/E:(2,3)(5,6)(7,8)(16,17)(22,23)/rA:26nCCCCCCCCCCCCCOCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14Cl3NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4948 |
Area: | 593.417 |
Solvation: | -3.34066 |
Coulombic: | -40.3633 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 406.689 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.64 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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