Molecule

ID:28451

General Information
Structure
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10;/h1-5,11H,6-9,13H2;1H
InChIKey
WNPGXFQMWDAUGS-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5354111
LogD (pH = 7.4)
-1.9664686
Log P
0.48241603
Molar Refractivity
60.3116
Polarizability
23.16496
Polar Surface Area
46.33
Rotatable Bonds
1
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