Molecule

ID:17318

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-15-7-3-5-12(15)10-14-9-11-4-2-6-13-8-11/h2-8,14H,9-10H2,1H3
InChIKey
ZDPBQFWFJFPRAL-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc1CNCc1cccnc1
Isomeric Smiles
c1(n(ccc1)C)CNCc1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.32734
LogD (pH = 7.4)
0.40330464
Log P
1.2619567
Molar Refractivity
61.2947
Polarizability
23.714151
Polar Surface Area
29.85
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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