Molecule

ID:55808

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃ClN₂O₃
Molecular Mass
326.81842
Exact Mass
326.13972029
Charge
0
InChI
InChI=1S/C16H22N2O3.ClH/c19-16(18-8-10-20-11-9-18)13-3-5-15(6-4-13)21-12-14-2-1-7-17-14;/h3-6,14,17H,1-2,7-12H2;1H
InChIKey
NBTGZWPUWDFNOG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCCN1)N1CCOCC1.Cl
Isomeric Smiles
O(c1ccc(cc1)C(=O)N1CCOCC1)CC1CCCN1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2379844
LogD (pH = 7.4)
-1.858372
Log P
0.9962276
Molar Refractivity
80.4031
Polarizability
31.177347
Polar Surface Area
50.8
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