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Chemical ID: 5527014
Chemical ID:
5527014
Name [?]:
2-(2,5-dichlorophenoxy)-N-[(2-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccccc1C=NNC(=O)COc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O3/c1-22-14-5-3-2-4-11(14)9-19-20-16(21)10-23-15-8-12(17)6-7-13(15)18/h2-9H,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,19,20,17,9,14,8,18,21,3,16,12,23,22,10,11,13,2,15/rA:23nCOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4562 |
Area: | 564.221 |
Solvation: | -6.64932 |
Coulombic: | -33.6348 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.199 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.84 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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