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Chemical ID: 5801060
Chemical ID:
5801060
Name [?]:
N-(5-chloro-2-methyl-phenyl)-N'-[(3,4-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(=O)NN=Cc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C16H12Cl3N3O2/c1-9-2-4-11(17)7-14(9)21-15(23)16(24)22-20-8-10-3-5-12(18)13(19)6-10/h2-8H,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,17,4,18,21,6,15,2,16,5,19,20,7,9,11,24,23,22,14,8,13,10,12/rA:24nCCCCCCCNCOCONNCCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl3N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8349 |
Area: | 584.687 |
Solvation: | -2.78227 |
Coulombic: | -45.7457 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.644 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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