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Chemical ID: 6646839
Chemical ID:
6646839
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(3,4-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H18ClN3O4/c1-11-13(19)5-4-6-14(11)21-17(23)18(24)22-20-10-12-7-8-15(25-2)16(9-12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,6,4,18,19,22,16,2,17,7,3,20,21,10,12,8,15,9,14,11,13,25,23/rA:26nCCCCCCCClNCOCONNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6013 |
Area: | 590.263 |
Solvation: | -6.15526 |
Coulombic: | -58.0833 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.806 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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