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Chemical ID: 4760463
Chemical ID:
4760463
Name [?]:
N'-[(3,5-dichloro-2-hydroxy-phenyl)methyleneamino]-N-(3,4-dichlorophenyl)-oxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C(=O)NN=Cc2cc(cc(c2O)Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl4N3O3/c16-8-3-7(13(23)12(19)4-8)6-20-22-15(25)14(24)21-9-1-2-10(17)11(18)5-9/h1-6,23H,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,16,18,5,14,15,17,6,3,4,19,20,8,10,23,25,24,22,13,7,12,21,9,11/rA:25nCCCCCCNCOCONNCCCCCCCOClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s19;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl4N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1401 |
Area: | 597.843 |
Solvation: | -3.80598 |
Coulombic: | -60.5718 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.061 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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