Molecule

ID:115406

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₅O₂
Molecular Mass
301.34366
Exact Mass
301.15387487
Charge
0
InChI
InChI=1S/C15H19N5O2/c1-18-13(16)12(14(21)17-15(18)22)20-9-7-19(8-10-20)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3,(H,17,21,22)
InChIKey
USVHCLROFSBOHG-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c(=O)n(c(c1N1CCN(CC1)c1ccccc1)N)C
Isomeric Smiles
c1(n(c(=O)[nH]c(=O)c1N1CCN(CC1)c1ccccc1)C)N
Calculated Properties
JChem
Acid pKa
9.430628
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.5284061
LogD (pH = 7.4)
0.53295577
Log P
0.5370486
Molar Refractivity
94.0448
Polarizability
31.06296
Polar Surface Area
81.91
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