Molecule

ID:80306

General Information
Structure
Molecular Formula
C₁₂H₁₇N₃
Molecular Mass
203.28348
Exact Mass
203.14224756
Charge
0
InChI
InChI=1S/C12H17N3/c1-3-14(4-2)10-15-9-13-11-7-5-6-8-12(11)15/h5-9H,3-4,10H2,1-2H3
InChIKey
AKDMRCSMKPFUQM-UHFFFAOYSA-N
Canonic Smiles
CCN(Cn1cnc2c1cccc2)CC
Isomeric Smiles
n1(cnc2ccccc12)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0973847
LogD (pH = 7.4)
0.3281021
Log P
2.3255415
Molar Refractivity
62.191
Polarizability
25.44985
Polar Surface Area
21.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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