Molecule

ID:62341

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₅
Molecular Mass
283.37144
Exact Mass
283.1796957
Charge
0
InChI
InChI=1S/C16H21N5/c1-10-7-11(2)20-16(19-10)21-13-8-12(3)18-15(9-13)14-5-4-6-17-14/h7-9,14,17H,4-6H2,1-3H3,(H,18,19,20,21)
InChIKey
YOHMWZMDAIAJRB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Nc2nc(C)cc(n2)C)cc(n1)C1CCCN1
Isomeric Smiles
c1(nc(cc(n1)C)C)Nc1cc(nc(c1)C)C1NCCC1
Calculated Properties
JChem
Acid pKa
12.795381
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6878282
LogD (pH = 7.4)
-0.39103124
Log P
1.6024598
Molar Refractivity
82.7842
Polarizability
31.819918
Polar Surface Area
62.73
Rotatable Bonds
3
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