Molecule

ID:48828

General Information
Structure
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-9(2)10(12)11(14)13-7-5-3-4-6-8-13;/h9-10H,3-8,12H2,1-2H3;1H
InChIKey
OUQQXFWBCOBILD-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCCCCC1)C(C)C.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4751946
LogD (pH = 7.4)
0.10944909
Log P
1.2441282
Molar Refractivity
57.8515
Polarizability
22.99533
Polar Surface Area
46.33
Rotatable Bonds
2
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