Molecule

ID:97092

General Information
Structure
Molecular Formula
C₁₇H₁₅FO₃
Molecular Mass
286.2976032
Exact Mass
286.10052256
Charge
0
InChI
InChI=1S/C17H15FO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3
InChIKey
BZMXLKULLDWQBK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1/C=C/C(=O)c1ccc(cc1)F
Isomeric Smiles
O(c1cc(ccc1/C=C/C(=O)c1ccc(cc1)F)OC)C
Calculated Properties
JChem
Acid pKa
16.598213
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7176847
LogD (pH = 7.4)
3.7176847
Log P
3.7176847
Molar Refractivity
80.0198
Polarizability
30.020113
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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