Molecule

ID:70198

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m1./s1
InChIKey
FDMCEXDXULPJPG-RFVHGSKJSA-N
Canonic Smiles
N[C@@H](C(=O)OC(C)(C)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)([C@@H](Cc1ccccc1)N)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.80913645
LogD (pH = 7.4)
2.1416786
Log P
2.2774687
Molar Refractivity
63.691
Polarizability
25.512344
Polar Surface Area
52.32
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