Molecule

ID:64708

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChIKey
QKUHUJCLUFLGCI-AWEZNQCLSA-N
Canonic Smiles
O=C(N1CCNC[C@@H]1Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1[C@@H](Cc2ccccc2)CNCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4993312
LogD (pH = 7.4)
2.1778839
Log P
2.6272876
Molar Refractivity
79.4817
Polarizability
31.441454
Polar Surface Area
41.57
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation