Molecule

ID:29317

General Information
Structure
Molecular Formula
C₂₀H₁₈FNO
Molecular Mass
307.3614232
Exact Mass
307.13724242
Charge
0
InChI
InChI=1S/C20H18FNO/c21-18-8-6-16(7-9-18)14-22-19-10-12-20(13-11-19)23-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2
InChIKey
PNOZJWXWQKHQBK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N(c1ccc(OCc2ccccc2)cc1)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7777643
LogD (pH = 7.4)
4.878551
Log P
4.880001
Molar Refractivity
92.1566
Polarizability
34.66572
Polar Surface Area
21.26
Rotatable Bonds
6
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