Molecule

ID:14583

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇N₅
Molecular Mass
289.41908
Exact Mass
289.22664589
Charge
0
InChI
InChI=1S/C16H27N5/c1-18-5-9-20(10-6-18)14-3-4-15(17)16(13-14)21-11-7-19(2)8-12-21/h3-4,13H,5-12,17H2,1-2H3
InChIKey
KAJCFZUIUCDMNV-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)C)N
Isomeric Smiles
c1(N2CCN(CC2)C)cc(N2CCN(CC2)C)ccc1N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.8395743
LogD (pH = 7.4)
-0.27577177
Log P
1.0546467
Molar Refractivity
91.7158
Polarizability
33.76616
Polar Surface Area
38.98
Rotatable Bonds
2
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