Molecule

ID:37506

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀FNO
Molecular Mass
285.3559032
Exact Mass
285.15289249
Charge
0
InChI
InChI=1S/C18H20FNO/c19-17-8-4-7-15(9-17)18-12-20(11-16(18)13-21)10-14-5-2-1-3-6-14/h1-9,16,18,21H,10-13H2/t16-,18-/m0/s1
InChIKey
XIVYMLCUZKNTGQ-WMZOPIPTSA-N
Canonic Smiles
OC[C@@H]1CN(C[C@H]1c1cccc(c1)F)Cc1ccccc1
Isomeric Smiles
C1[C@H]([C@@H](CN1Cc1ccccc1)CO)c1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
15.409221
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.33677807
LogD (pH = 7.4)
1.181491
Log P
2.9317696
Molar Refractivity
83.2262
Polarizability
31.957945
Polar Surface Area
23.47
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