Molecule

ID:48860

General Information
Structure
Molecular Formula
C₁₀H₂₃ClN₂O
Molecular Mass
222.75542
Exact Mass
222.14989105
Charge
0
InChI
InChI=1S/C10H22N2O.ClH/c1-5-7-12(8-6-2)9(13)10(3,4)11;/h5-8,11H2,1-4H3;1H
InChIKey
CLQRYNQIEXAFJV-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)C(N)(C)C)CCC.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(CCC)CCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5274239
LogD (pH = 7.4)
2.6056607E-5
Log P
1.2531248
Molar Refractivity
55.3714
Polarizability
21.883293
Polar Surface Area
46.33
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