Chemical ID: 7048410

c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
Chemical ID:
7048410
Name [?]:
2-benzylidene-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C22H15FO3/c23-17-8-6-16(7-9-17)14-25-18-10-11-19-20(13-18)26-21(22(19)24)12-15-4-2-1-3-5-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,22,24,13,12,7,15,19,4,20,23,14,11,16,8,9,26,10,18,17/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15FO3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.71369
Area:560.544
Solvation:-4.2999
Coulombic:-31.3085
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:346.351
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.42
LogP (Chemaxon):4.99

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Descriptor Annotations

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