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Chemical ID: 6318580
Chemical ID:
6318580
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]propanamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(C)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O4/c1-3-25-17-8-12(4-6-15(17)23)10-21-22-18(24)11(2)26-16-7-5-13(19)9-14(16)20/h4-11,23H,3H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,2,7,21,8,20,5,23,11,16,6,22,24,9,19,4,14,26,25,12,13,10,15,3,18/rA:26cCCOCCCCCCOCNNCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.47724 |
Area: | 612.898 |
Solvation: | -7.84521 |
Coulombic: | -49.2243 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.252 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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