Molecule

ID:3403

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅FO₂
Molecular Mass
258.2875032
Exact Mass
258.10560794
Charge
0
InChI
InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1
InChIKey
CPJBKHZROFMSQM-NSHDSACASA-N
Canonic Smiles
COC(=O)[C@H](c1ccc(c(c1)F)c1ccccc1)C
Isomeric Smiles
COC(=O)[C@@H](C)c1ccc(c(F)c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.089802
LogD (pH = 7.4)
4.089802
Log P
4.089802
Molar Refractivity
72.0618
Polarizability
29.056969
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.24
LOG S
-4.74
Solubility (Water)
4.71e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation