Molecule

ID:22961

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-14(17)9-6-10-15(11)18-16(19)12(2)20-13-7-4-3-5-8-13/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKey
RDDMBLNLSKVOCE-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cccc(c1C)N)Oc1ccccc1
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C(Oc1ccccc1)C
Calculated Properties
JChem
Acid pKa
12.807929
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9729433
LogD (pH = 7.4)
2.981014
Log P
2.9811194
Molar Refractivity
81.1186
Polarizability
30.225903
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