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Chemical ID: 6487140
Chemical ID:
6487140
Name [?]:
N'-(3-chlorophenyl)-N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
SMILES [?]:
COc1cccc(c1O)C=NNC(=O)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H14ClN3O4/c1-24-13-7-2-4-10(14(13)21)9-18-20-16(23)15(22)19-12-6-3-5-11(17)8-12/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,20,6,21,19,4,23,10,7,22,18,3,8,15,13,24,11,17,12,9,16,14,2/rA:24nCOCCCCCCOCNNCOCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClN3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79611 |
Area: | 553.339 |
Solvation: | -5.03738 |
Coulombic: | -67.8597 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.753 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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