Molecule

ID:36323

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇FN₂O₃
Molecular Mass
316.3268832
Exact Mass
316.12232063
Charge
0
InChI
InChI=1S/C17H17FN2O3/c18-14-8-6-13(7-9-14)10-19-16(21)11-20(12-17(22)23)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,19,21)(H,22,23)
InChIKey
UHSLMTSQZZIWFI-UHFFFAOYSA-N
Canonic Smiles
O=C(CN(c1ccccc1)CC(=O)O)NCc1ccc(cc1)F
Isomeric Smiles
N(CC(=O)NCc1ccc(F)cc1)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0612464
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.87038875
LogD (pH = 7.4)
-0.80172926
Log P
2.3211648
Molar Refractivity
84.2037
Polarizability
31.685839
Polar Surface Area
69.64
Rotatable Bonds
7
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