Molecule

ID:50453

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c16-14(17)9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)
InChIKey
QJHMRAUNAZTRTG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(CC(=O)O)CCC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.2442613
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.49462762
LogD (pH = 7.4)
-0.4773802
Log P
-0.47660348
Molar Refractivity
67.4807
Polarizability
26.364883
Polar Surface Area
40.54
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