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Chemical ID: 6456174
Chemical ID:
6456174
Name [?]:
N'-[(3-allyl-2-hydroxy-phenyl)methyleneamino]-N-(p-tolyl)oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2cccc(c2O)CC=C
InChi [?]:
InChI=1/C19H19N3O3/c1-3-5-14-6-4-7-15(17(14)23)12-20-22-19(25)18(24)21-16-10-8-13(2)9-11-16/h3-4,6-12,23H,1,5H2,2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,1,24,18,23,19,17,3,7,4,6,15,2,20,16,5,21,9,11,14,8,13,22,10,12/E:(8,9)(10,11)/rA:25nCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7396 |
Area: | 569.983 |
Solvation: | -3.50998 |
Coulombic: | -62.7131 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.373 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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