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Chemical ID: 5793209
Chemical ID:
5793209
Name [?]:
2-(4-chlorophenyl)amino-N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc(c(c1)C=NNC(=O)CNc2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C16H16ClN3O3/c1-23-14-6-7-15(21)11(8-14)9-19-20-16(22)10-18-13-4-2-12(17)3-5-13/h2-9,18,21H,10H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,18,20,17,21,4,5,8,9,14,7,19,16,3,6,12,22,15,10,11,23,13,2/E:(2,3)(4,5)/rA:23nCOCCCCCCCNNCOCNCCCCCCClO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18869 |
Area: | 553.841 |
Solvation: | -5.65735 |
Coulombic: | -53.3284 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.769 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.54 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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