Molecule

ID:43094

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-7-3-5-8(6-4-7)9(11)10(12)13-2;/h3-6,9H,11H2,1-2H3;1H
InChIKey
FPOOPAKVFDSBMQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)C)N.Cl
Isomeric Smiles
C(=O)(C(c1ccc(cc1)C)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2006132
LogD (pH = 7.4)
1.3642875
Log P
1.4482692
Molar Refractivity
50.1716
Polarizability
19.901134
Polar Surface Area
52.32
Rotatable Bonds
3
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