Molecule

ID:22996

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-3-20-13-7-4-6-12(10-13)16(19)18-15-9-5-8-14(17)11(15)2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKey
UNAYNCLGGBKHLH-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1cc(OCC)ccc1
Calculated Properties
JChem
Acid pKa
12.899173
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.942252
LogD (pH = 7.4)
2.9486787
Log P
2.9487627
Molar Refractivity
82.5449
Polarizability
30.199928
Polar Surface Area
64.35
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