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Chemical ID: 5791095
Chemical ID:
5791095
Name [?]:
N'-(2,3-dichlorophenyl)-N-(p-tolylmethyleneamino)oxamide
SMILES [?]:
Cc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c1-10-5-7-11(8-6-10)9-19-21-16(23)15(22)20-13-4-2-3-12(17)14(13)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,3,7,4,6,8,2,5,20,16,21,13,11,23,22,9,15,10,14,12/E:(5,6)(7,8)/rA:23nCCCCCCCCNNCOCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0476 |
Area: | 546.256 |
Solvation: | -2.60879 |
Coulombic: | -46.1845 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.71 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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