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Chemical ID: 6446750
Chemical ID:
6446750
Name [?]:
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-methyl-aniline
SMILES [?]:
Cc1cccc(c1)NCc2cc(c(c(c2)Cl)OCc3ccc(cc3Cl)Cl)OC
InChi [?]:
InChI=1/C22H20Cl3NO2/c1-14-4-3-5-18(8-14)26-12-15-9-20(25)22(21(10-15)27-2)28-13-16-6-7-17(23)11-19(16)24/h3-11,26H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,4,3,5,20,21,7,15,11,23,9,18,2,10,19,22,6,24,14,12,13,26,25,16,8,27,17/rA:28nCCCCCCCNCCCCCCCClOCCCCCCCClClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s12;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20Cl3NO2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9846 |
Area: | 670.163 |
Solvation: | -3.76945 |
Coulombic: | -31.0094 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 436.758 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.95 |
LogP (Chemaxon): | 6.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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