Molecule

ID:23218

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇FN₂O₂
Molecular Mass
288.3167832
Exact Mass
288.12740601
Charge
0
InChI
InChI=1S/C16H17FN2O2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-8-12(18)6-7-13(14)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKey
SVFKNPONXPSJDG-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1c(C)cccc1C
Isomeric Smiles
c1(NC(=O)COc2c(cccc2C)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161026
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0646195
LogD (pH = 7.4)
3.0683582
Log P
3.0684786
Molar Refractivity
81.8823
Polarizability
29.819118
Polar Surface Area
64.35
Rotatable Bonds
4
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