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Chemical ID: 4128536
Chemical ID:
4128536
Name [?]:
2-(2-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]acetamide
SMILES [?]:
c1ccc(c(c1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c23-18-9-5-17(6-10-18)14-28-19-11-7-16(8-12-19)13-25-26-22(27)15-29-21-4-2-1-3-20(21)24/h1-13H,14-15H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,23,27,15,19,24,26,16,18,13,21,8,14,22,25,17,4,5,9,28,29,12,11,10,20,7/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCOCCONNCCCCCCCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58843 |
Area: | 680.286 |
Solvation: | -7.41871 |
Coulombic: | -35.3519 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 429.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.54 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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