Molecule

ID:113761

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃
Molecular Mass
265.35286
Exact Mass
265.15789762
Charge
0
InChI
InChI=1S/C17H19N3/c1-13-15(16-7-2-3-8-17(16)20-13)9-11-18-12-14-6-4-5-10-19-14/h2-8,10,18,20H,9,11-12H2,1H3
InChIKey
PTKBFIOKMJBNGT-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c2c(c1CCNCc1ccccn1)cccc2
Isomeric Smiles
[nH]1c(c(c2c1cccc2)CCNCc1ncccc1)C
Calculated Properties
JChem
Acid pKa
17.283371
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.272272
LogD (pH = 7.4)
1.2755193
Log P
2.7068517
Molar Refractivity
82.2307
Polarizability
33.06476
Polar Surface Area
40.71
Rotatable Bonds
5
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