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Chemical ID: 6647478
Chemical ID:
6647478
Name [?]:
N-(3-chloro-4-methyl-phenyl)-N'-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C(=O)NN=Cc2cccc(c2O)OC
InChi [?]:
InChI=1/C17H16ClN3O4/c1-10-6-7-12(8-13(10)18)20-16(23)17(24)21-19-9-11-4-3-5-14(25-2)15(11)22/h3-9,22H,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,19,18,20,3,4,6,16,2,17,5,7,21,22,10,12,8,15,9,14,23,11,13,24/rA:25nCCCCCCCClNCOCONNCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07681 |
Area: | 569.845 |
Solvation: | -5.16931 |
Coulombic: | -67.6373 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.779 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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