Molecule

ID:55807

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂ClN₃O
Molecular Mass
307.81838
Exact Mass
307.14514002
Charge
0
InChI
InChI=1S/C16H21N3O.ClH/c1-12-5-3-4-6-13(12)10-20-11-15-14-9-17-8-7-16(14)19(2)18-15;/h3-6,17H,7-11H2,1-2H3;1H
InChIKey
JOFDQSXFPPUNCK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1COCc1nn(c2c1CNCC2)C.Cl
Isomeric Smiles
C1CNCc2c1n(nc2COCc1ccccc1C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9915809
LogD (pH = 7.4)
0.64231354
Log P
1.885786
Molar Refractivity
92.2056
Polarizability
30.863762
Polar Surface Area
39.08
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