Molecule

ID:25215

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀FNO₄
Molecular Mass
297.3220032
Exact Mass
297.13763635
Charge
0
InChI
InChI=1S/C15H20FNO4/c1-15(14(19)21-3)7-9(8-18)13(17-15)11-6-10(20-2)4-5-12(11)16/h4-6,9,13,17-18H,7-8H2,1-3H3
InChIKey
HNSCHFUJHKSHHK-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(NC1c1cc(OC)ccc1F)(C)C(=O)OC
Isomeric Smiles
N1C(c2c(ccc(c2)OC)F)C(CC1(C(=O)OC)C)CO
Calculated Properties
JChem
Acid pKa
15.407052
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.6942897
LogD (pH = 7.4)
1.2079079
Log P
1.2206403
Molar Refractivity
74.8106
Polarizability
29.48444
Polar Surface Area
67.79
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation