Molecule

ID:93018

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)11-12-4-3-5-13(10-12)14(17)18-2/h3-5,10H,6-9,11H2,1-2H3
InChIKey
XXFWNVBCLRIKNP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)CN1CCN(CC1)C
Isomeric Smiles
O=C(c1cc(ccc1)CN1CCN(CC1)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.79320234
LogD (pH = 7.4)
0.97894
Log P
1.7652391
Molar Refractivity
72.6761
Polarizability
28.11653
Polar Surface Area
32.78
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