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Chemical ID: 6433096
Chemical ID:
6433096
Name [?]:
N-(5-chloro-2-methyl-phenyl)-N'-(1-naphthylmethyleneamino)oxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(=O)NN=Cc2cccc3c2cccc3)Cl
InChi [?]:
InChI=1/C20H16ClN3O2/c1-13-9-10-16(21)11-18(13)23-19(25)20(26)24-22-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,17,22,3,4,6,15,2,20,16,5,21,7,9,11,26,14,8,13,10,12/rA:26nCCCCCCCNCOCONNCCCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7133 |
Area: | 577.808 |
Solvation: | -2.7319 |
Coulombic: | -46.6196 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.813 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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