Molecule

ID:25158

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃
Molecular Mass
229.32076
Exact Mass
229.15789762
Charge
0
InChI
InChI=1S/C14H19N3/c1-9-3-4-12-13(10(9)2)17-14(16-12)11-5-7-15-8-6-11/h3-4,11,15H,5-8H2,1-2H3,(H,16,17)
InChIKey
OPBKABDXRDKLFB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1C)[nH]c(n2)C1CCNCC1
Isomeric Smiles
[nH]1c(nc2c1c(c(cc2)C)C)C1CCNCC1
Calculated Properties
JChem
Acid pKa
12.948298
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.6220392
LogD (pH = 7.4)
-0.09010941
Log P
2.5129893
Molar Refractivity
69.9232
Polarizability
28.15105
Polar Surface Area
40.71
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