Molecule

ID:28851

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-12-3-4-13(2)16(11-12)19-10-9-18-15-7-5-14(17)6-8-15/h3-8,11,18H,9-10H2,1-2H3
InChIKey
IJOQKXISLFIHCY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCCOc1cc(C)ccc1C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.236521
LogD (pH = 7.4)
4.25932
Log P
4.2596183
Molar Refractivity
77.1028
Polarizability
28.600376
Polar Surface Area
21.26
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