Chemical ID: 4895278

c1ccc(c(c1)COc2ccc3c(c2)OC(=Cc4c(cccc4Cl)Cl)C3=O)F
Chemical ID:
4895278
Name [?]:
2-[(2,6-dichlorophenyl)methylene]-6-[(2-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(c(c1)COc2ccc3c(c2)OC(=Cc4c(cccc4Cl)Cl)C3=O)F
InChi [?]:
InChI=1/C22H13Cl2FO3/c23-17-5-3-6-18(24)16(17)11-21-22(26)15-9-8-14(10-20(15)28-21)27-12-13-4-1-2-7-19(13)25/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,21,6,20,22,3,10,11,14,17,7,5,9,12,18,19,23,4,13,16,26,25,24,28,27,8,15/E:(5,6)(17,18)(23,24)/rA:28nCCCCCCCOCCCCCCOCCCCCCCCClClCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s19;s12s16;d26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13Cl2FO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4941
Area:604.302
Solvation:-3.61344
Coulombic:-32.0846
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:415.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.66
LogP (Chemaxon):6.03

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Descriptor Annotations

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