Molecule
ID:120577
General Information
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c1-3-11-5-7-15-14(8-11)18-16(19-15)12-6-4-10(2)13(17)9-12/h4-9H,3,17H2,1-2H3
InChIKey
LZQRAZOLPLCAMT-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)nc(o2)c1ccc(c(c1)N)C
Isomeric Smiles
n1c(oc2c1cc(cc2)CC)c1cc(c(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9849946
LogD (pH = 7.4)
3.9870944
Log P
3.987121
Molar Refractivity
87.2085
Polarizability
30.68125
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...