Molecule
ID:73567
General Information
Molecular Formula
C₂₁H₁₈N₂
Molecular Mass
298.38102
Exact Mass
298.14699859
Charge
0
InChI
InChI=1S/C21H18N2/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)19-14-15-22-20-8-4-5-9-21(20)23-19/h1-13,22H,14-15H2
InChIKey
JRUYMXUUBSYDJN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)C1=Nc2ccccc2NCC1
Isomeric Smiles
N1=C(c2ccc(cc2)c2ccccc2)CCNc2ccccc12
Calculated Properties
JChem
Acid pKa
10.767415
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.750097
LogD (pH = 7.4)
4.750974
Log P
4.750997
Molar Refractivity
98.6767
Polarizability
37.673115
Polar Surface Area
24.39
Rotatable Bonds
2
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...