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Chemical ID: 6403676
Chemical ID:
6403676
Name [?]:
2-(2-chlorophenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)COc2ccccc2Cl
InChi [?]:
InChI=1/C17H17ClN2O4/c1-2-23-16-9-12(7-8-14(16)21)10-19-20-17(22)11-24-15-6-4-3-5-13(15)18/h3-10,21H,2,11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,19,7,8,5,11,16,6,23,9,18,4,14,24,12,13,10,15,3,17/rA:24nCCOCCCCCCOCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.26626 |
Area: | 575.25 |
Solvation: | -8.11499 |
Coulombic: | -48.8649 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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