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Chemical ID: 4368191
Chemical ID:
4368191
Name [?]:
3,5-dichloro-N-(3,4-dichlorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C14H9Cl4NO2/c1-21-13-11(17)4-7(5-12(13)18)14(20)19-8-2-3-9(15)10(16)6-8/h2-6H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,5,7,18,6,13,16,17,4,8,3,10,20,19,21,9,12,11,2/E:(4,5)(11,12)(17,18)/rA:21nCOCCCCCCClCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl4NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1933 |
Area: | 535.255 |
Solvation: | -3.18805 |
Coulombic: | -30.2517 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.038 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.4 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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