Molecule
ID:73607
General Information
Molecular Formula
C₁₆H₁₆N₂O₂
Molecular Mass
268.31044
Exact Mass
268.12117776
Charge
0
InChI
InChI=1S/C16H16N2O2/c19-16(20)13-8-9-15(17-11-13)18-10-4-7-14(18)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,19,20)
InChIKey
KEFHBWLOLUMEGS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(nc1)N1CCCC1c1ccccc1
Isomeric Smiles
N1(c2ncc(cc2)C(=O)O)C(c2ccccc2)CCC1
Calculated Properties
JChem
Acid pKa
1.977825
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5903015
LogD (pH = 7.4)
0.57991344
Log P
1.654331
Molar Refractivity
77.7232
Polarizability
29.120964
Polar Surface Area
53.43
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...