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Chemical ID: 7047418
Chemical ID:
7047418
Name [?]:
7-ethoxy-2-oxo-N-(2,4,5-trichlorophenyl)-chromene-3-carboxamide
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C18H12Cl3NO4/c1-2-25-10-4-3-9-5-11(18(24)26-16(9)6-10)17(23)22-15-8-13(20)12(19)7-14(15)21/h3-8H,2H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,8,14,22,19,7,4,9,21,20,23,18,13,15,10,25,26,24,17,16,11,3,12/rA:26nCCOCCCCCCCOOCCCONCCCCCCClClCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12Cl3NO4 |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0357 |
Area: | 599.65 |
Solvation: | -4.95555 |
Coulombic: | -46.5837 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 412.65 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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