Molecule

ID:24733

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-8-4-2-5-9-11(8)15-12(14-9)10-6-3-7-13-10/h2,4-5,10,13H,3,6-7H2,1H3,(H,14,15)
InChIKey
KUFMTQOQTXECOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1nc([nH]2)C1CCCN1
Isomeric Smiles
n1c([nH]c2c1c(ccc2)C)C1NCCC1
Calculated Properties
JChem
Acid pKa
11.920335
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.108406
LogD (pH = 7.4)
0.16828784
Log P
2.0221944
Molar Refractivity
59.871
Polarizability
24.622631
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