Chemical ID: 5287840

c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)F
Chemical ID:
5287840
Name [?]:
[2-[(2-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)F
InChi [?]:
InChI=1/C19H13FO4/c20-15-4-2-1-3-12(15)9-17-18(21)14-8-7-13(10-16(14)24-17)23-19(22)11-5-6-11/h1-4,7-11H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,23,13,12,7,15,21,5,14,11,4,16,8,9,19,24,10,20,18,17/E:(5,6)/rA:24nCCCCCCCCCOCCCCCCOOCOCCCF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;d19;s19;s21;s21s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13FO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.4397
Area:514.339
Solvation:-3.41878
Coulombic:-40.2385
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:324.303
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.66

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Descriptor Annotations

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