Molecule

ID:47876

General Information
Structure
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-10-9-11(3-4-12(10)13)15-7-5-14(2)6-8-15/h3-4,9H,5-8,13H2,1-2H3
InChIKey
DTEFRDRZJUCTLM-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(c(c1)C)N
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1963739
LogD (pH = 7.4)
0.8643982
Log P
1.6129047
Molar Refractivity
66.2783
Polarizability
24.391579
Polar Surface Area
32.5
Rotatable Bonds
1
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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