Molecule

ID:124211

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO₂
Molecular Mass
277.74604
Exact Mass
277.08695644
Charge
0
InChI
InChI=1S/C15H15NO2.ClH/c17-15(18)11-16-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h1-9,16H,10-11H2,(H,17,18);1H
InChIKey
RDBXPFUIPHGKDR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNCc1ccc(cc1)c1ccccc1.Cl
Isomeric Smiles
C(=O)(O)CNCc1ccc(c2ccccc2)cc1.Cl
Calculated Properties
JChem
Acid pKa
2.0286474
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.18589261
LogD (pH = 7.4)
0.1839813
Log P
0.18591975
Molar Refractivity
70.5268
Polarizability
28.877565
Polar Surface Area
49.33
Rotatable Bonds
5
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