Molecule

ID:115070

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₅
Molecular Mass
281.35556
Exact Mass
281.16404563
Charge
0
InChI
InChI=1S/C16H19N5/c1-9-5-6-10(2)13(7-9)15-12(4)20-21-14(19-17)8-11(3)18-16(15)21/h5-8,19H,17H2,1-4H3
InChIKey
VBPJMMYCRFDGBB-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)nc2n1nc(c2c1cc(C)ccc1C)C
Isomeric Smiles
n12c(c(c(n1)C)c1c(ccc(c1)C)C)nc(cc2NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9916651
LogD (pH = 7.4)
3.0696247
Log P
3.0707147
Molar Refractivity
97.1352
Polarizability
32.977604
Polar Surface Area
68.24
Rotatable Bonds
1
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