Molecule

ID:29665

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀FNO₂
Molecular Mass
301.3553032
Exact Mass
301.14780711
Charge
0
InChI
InChI=1S/C18H20FNO2/c19-15-8-6-14(7-9-15)12-20-16-3-1-4-17(11-16)22-13-18-5-2-10-21-18/h1,3-4,6-9,11,18,20H,2,5,10,12-13H2
InChIKey
PIVDPBZLACTZSC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNc1cccc(c1)OCC1CCCO1
Isomeric Smiles
N(c1cc(OCC2OCCC2)ccc1)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.570117
LogD (pH = 7.4)
3.5740662
Log P
3.5741167
Molar Refractivity
85.7987
Polarizability
32.39984
Polar Surface Area
30.49
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