Chemical ID: 7048349

c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl)Cl
Chemical ID:
7048349
Name [?]:
2-[(2-chlorophenyl)methylene]-6-[(2,4-dichlorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl)Cl
InChi [?]:
InChI=1/C22H13Cl3O3/c23-15-6-5-14(19(25)10-15)12-27-16-7-8-17-20(11-16)28-21(22(17)26)9-13-3-1-2-4-18(13)24/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,22,13,12,7,24,15,19,5,20,23,14,11,4,25,16,8,9,27,28,26,10,18,17/rA:28nCCCCCCCCCOCCCCCCOOCCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13Cl3O3
All Atoms:41
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3233
Area:645.469
Solvation:-2.81344
Coulombic:-29.1865
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:431.695
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.12
LogP (Chemaxon):6.41

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Descriptor Annotations

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