Molecule

ID:48806

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-2-13(11(14)8-9-12)10-6-4-3-5-7-10;/h10H,2-9,12H2,1H3;1H
InChIKey
UTNKZZWMGKERHA-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CCN)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0480256
LogD (pH = 7.4)
-0.825284
Log P
0.8860252
Molar Refractivity
58.0812
Polarizability
22.99533
Polar Surface Area
46.33
Rotatable Bonds
4
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