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Chemical ID: 6646963
Chemical ID:
6646963
Name [?]:
N'-[(5-chloro-2-hydroxy-phenyl)methyleneamino]-N-(3-chloro-2-methyl-phenyl)-oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(ccc2O)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O3/c1-9-12(18)3-2-4-13(9)20-15(23)16(24)21-19-8-10-7-11(17)5-6-14(10)22/h2-8,22H,1H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,20,21,18,16,2,17,19,7,3,22,10,12,24,8,15,9,14,23,11,13/rA:24nCCCCCCCClNCOCONNCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4635 |
Area: | 556.086 |
Solvation: | -3.43859 |
Coulombic: | -60.9231 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.198 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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