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Chemical ID: 6631280
Chemical ID:
6631280
Name [?]:
N'-[(3-allyloxyphenyl)methyleneamino]-N-(m-tolyl)oxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NN=Cc2cccc(c2)OCC=C
InChi [?]:
InChI=1/C19H19N3O3/c1-3-10-25-17-9-5-7-15(12-17)13-20-22-19(24)18(23)21-16-8-4-6-14(2)11-16/h3-9,11-13H,1,10H2,2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:25,1,24,4,18,3,17,5,19,23,7,21,15,2,16,6,20,9,11,14,8,13,10,12,22/rA:25nCCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5726 |
Area: | 580.543 |
Solvation: | -3.94098 |
Coulombic: | -53.8566 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 337.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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