Molecule

ID:83184

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂O₂
Molecular Mass
272.77104
Exact Mass
272.1291556
Charge
0
InChI
InChI=1S/C13H20N2O2.ClH/c1-4-17-13(16)12-9(3)15(10-5-6-10)8(2)11(12)7-14;/h10H,4-7,14H2,1-3H3;1H
InChIKey
SYZKPCIJWXRHRI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)n(c(c1CN)C)C1CC1.Cl
Isomeric Smiles
n1(C2CC2)c(c(c(c1C)CN)C(=O)OCC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3356677
LogD (pH = 7.4)
-0.23832035
Log P
1.6275465
Molar Refractivity
68.4714
Polarizability
25.910748
Polar Surface Area
57.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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