Molecule

ID:47514

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅ClN₂O₃
Molecular Mass
328.8343
Exact Mass
328.15537035
Charge
0
InChI
InChI=1S/C16H24N2O3.ClH/c1-4-18(5-2)12-7-6-8-13(9-12)21-14-10-15(17-11-14)16(19)20-3;/h6-9,14-15,17H,4-5,10-11H2,1-3H3;1H/t14-,15-;/m0./s1
InChIKey
SCZWCXBOSCJOIJ-YYLIZZNMSA-N
Canonic Smiles
CCN(c1cccc(c1)O[C@@H]1CN[C@@H](C1)C(=O)OC)CC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1cccc(c1)N(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9178685
LogD (pH = 7.4)
1.9997506
Log P
2.0568664
Molar Refractivity
82.337
Polarizability
32.12298
Polar Surface Area
50.8
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