Molecule

ID:16117

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H15NO2.ClH/c1-2-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15;/h3-6,11H,2,7-8H2,1H3,(H,14,15);1H
InChIKey
NOVXIEHCYMHMLN-UHFFFAOYSA-N
Canonic Smiles
CCN1Cc2ccccc2CC1C(=O)O.Cl
Isomeric Smiles
N1(C(Cc2c(C1)cccc2)C(=O)O)CC.Cl
Calculated Properties
JChem
Acid pKa
1.7248708
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.727782
LogD (pH = 7.4)
-0.73071676
Log P
-0.72782356
Molar Refractivity
58.4888
Polarizability
22.677502
Polar Surface Area
40.54
Rotatable Bonds
2
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