Chemical ID: 6647478

Cc1ccc(cc1Cl)NC(=O)C(=O)NN=Cc2cccc(c2O)OC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue