Molecule

ID:23217

General Information
Structure
Molecular Formula
C₁₆H₁₇FN₂O₂
Molecular Mass
288.3167832
Exact Mass
288.12740601
Charge
0
InChI
InChI=1S/C16H17FN2O2/c1-10-5-11(2)7-13(6-10)21-9-16(20)19-15-8-12(18)3-4-14(15)17/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKey
BABBBVGINUPICU-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1cc(C)cc(c1)C
Isomeric Smiles
c1(NC(=O)COc2cc(cc(c2)C)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161056
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0643096
LogD (pH = 7.4)
3.0683541
Log P
3.0684786
Molar Refractivity
81.8823
Polarizability
29.817472
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