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Chemical ID: 5853033
Chemical ID:
5853033
Name [?]:
N'-(2,3-dichlorophenyl)-N-[(4-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O3/c1-24-11-7-5-10(6-8-11)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:1,19,20,18,5,7,4,8,9,6,3,21,17,22,14,12,24,23,10,16,11,15,13,2/E:(5,6)(7,8)/rA:24nCOCCCCCCCNNCOCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.025 |
Area: | 561.107 |
Solvation: | -4.00272 |
Coulombic: | -52.495 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.198 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.18 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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