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Chemical ID: 6171800
Chemical ID:
6171800
Name [?]:
N-(2,3-dichlorophenyl)-N'-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyleneamino]oxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C22H15Cl4N3O3/c23-16-3-1-4-17(24)15(16)12-32-14-9-7-13(8-10-14)11-27-29-22(31)21(30)28-19-6-2-5-18(25)20(19)26/h1-11H,12H2,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:28,1,27,29,6,2,18,22,19,21,16,24,17,20,25,26,30,5,3,4,10,12,32,31,7,8,15,9,14,11,13,23/E:(3,4)(7,8)(9,10)(16,17)(23,24)/rA:32nCCCCCCClClNCOCONNCCCCCCCOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15Cl4N3O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0222 |
Area: | 726.707 |
Solvation: | -4.14548 |
Coulombic: | -54.8584 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 511.184 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 7.14 |
LogP (Chemaxon): | 5.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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