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Chemical ID: 4136687
Chemical ID:
4136687
Name [?]:
2-(4-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]acetamide
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c23-18-5-1-17(2-6-18)14-28-20-9-3-16(4-10-20)13-25-26-22(27)15-29-21-11-7-19(24)8-12-21/h1-13H,14-15H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,5,11,13,2,4,24,26,10,14,23,27,15,7,20,12,6,3,25,9,22,18,29,28,16,17,19,8,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0124 |
Area: | 686.261 |
Solvation: | -7.14409 |
Coulombic: | -35.1731 |
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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