Chemical ID: 7047418

CCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
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

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Descriptor Annotations

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