Molecule

ID:84341

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₂
Molecular Mass
291.3886
Exact Mass
291.19467706
Charge
0
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)12-4-5-14(13(17)10-12)18-15(20)11-19-6-8-21-9-7-19/h4-5,10H,6-9,11,17H2,1-3H3,(H,18,20)
InChIKey
QGCYNFUSJJMMCL-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1N)C(C)(C)C)CN1CCOCC1
Isomeric Smiles
N(c1ccc(cc1N)C(C)(C)C)C(=O)CN1CCOCC1
Calculated Properties
JChem
Acid pKa
13.557211
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.451989
LogD (pH = 7.4)
1.5978733
Log P
1.6000845
Molar Refractivity
86.7908
Polarizability
32.490486
Polar Surface Area
67.59
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