Molecule

ID:48976

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅ClN₂O
Molecular Mass
248.7927
Exact Mass
248.16554111
Charge
0
InChI
InChI=1S/C12H24N2O.ClH/c1-3-8-14(9-4-2)12(15)11-6-5-7-13-10-11;/h11,13H,3-10H2,1-2H3;1H
InChIKey
GTRJXNRQCRIJQI-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)C1CCCNC1)CCC.Cl
Isomeric Smiles
C(=O)(C1CNCCC1)N(CCC)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.750787
LogD (pH = 7.4)
-0.73235446
Log P
1.4352099
Molar Refractivity
63.0821
Polarizability
24.838331
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