Molecule

ID:48783

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂O
Molecular Mass
242.74506
Exact Mass
242.11859092
Charge
0
InChI
InChI=1S/C12H18N2O.ClH/c1-3-14(12(15)9-13-2)10-11-7-5-4-6-8-11;/h4-8,13H,3,9-10H2,1-2H3;1H
InChIKey
GHHMBNMTTNZDSA-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CNC)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9688883
LogD (pH = 7.4)
-0.41718763
Log P
1.0067954
Molar Refractivity
61.7548
Polarizability
24.117332
Polar Surface Area
32.34
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