Chemical ID: 4898118

c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc5c(c4)OCO5)F
Chemical ID:
4898118
Name [?]:
[2-[(2-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4ccc5c(c4)OCO5)F
InChi [?]:
InChI=1/C23H13FO6/c24-17-4-2-1-3-13(17)9-21-22(25)16-7-6-15(11-19(16)30-21)29-23(26)14-5-8-18-20(10-14)28-12-27-18/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,13,12,23,7,26,15,28,5,21,14,11,4,24,16,25,8,9,19,30,10,20,29,27,18,17/rA:30nCCCCCCCCCOCCCCCCOOCOCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H13FO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.89697
Area:596.205
Solvation:-5.00815
Coulombic:-57.6826
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:404.344
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.05
LogP (Chemaxon):4.38

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Descriptor Annotations

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