Chemical ID: 7048419

CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F
Chemical ID:
7048419
Name [?]:
6-[(2-chloro-6-fluoro-phenyl)methoxy]-2-[(4-isopropylphenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F
InChi [?]:
InChI=1/C25H20ClFO3/c1-15(2)17-8-6-16(7-9-17)12-24-25(28)19-11-10-18(13-23(19)30-24)29-14-20-21(26)4-3-5-22(20)27/h3-13,15H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,27,25,6,8,5,9,16,15,10,18,22,2,7,4,17,14,23,28,24,19,11,12,29,30,13,21,20/E:(1,2)(6,7)(8,9)/rA:30nCCCCCCCCCCCCOCCCCCCOOCCCCCCCClF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20ClFO3
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1645
Area:649.519
Solvation:-4.07346
Coulombic:-31.8214
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:422.876
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.44
LogP (Chemaxon):6.71

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Descriptor Annotations

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