Molecule

ID:46769

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-19-16(18)15-8-3-2-6-13(15)12-20-11-9-14-7-4-5-10-17-14;/h2-3,6,8,14,17H,4-5,7,9-12H2,1H3;1H
InChIKey
WBQDNUJFFBAXSC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(c1c(COCCC2NCCCC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.77337575
LogD (pH = 7.4)
-0.31642598
Log P
2.458189
Molar Refractivity
79.0524
Polarizability
30.962313
Polar Surface Area
47.56
Rotatable Bonds
7
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