Molecule

ID:47290

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-2-11(8-13-5-1)14-9-10-3-6-12-7-4-10;/h1-2,5,8,10,12H,3-4,6-7,9H2;1H
InChIKey
CACJEBUVZFGJSN-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccnc1.Cl
Isomeric Smiles
N1CCC(COc2cnccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5989099
LogD (pH = 7.4)
-2.0693598
Log P
0.7022611
Molar Refractivity
55.3387
Polarizability
21.954481
Polar Surface Area
34.15
Rotatable Bonds
3
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