Molecule

ID:13521

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10,13H2,1H3
InChIKey
NIXCVBFXLJWUTC-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)Cc1ccc(cc1)N
Isomeric Smiles
C1N(CCN(C1)Cc1ccc(cc1)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0192542
LogD (pH = 7.4)
-0.27046707
Log P
0.93283623
Molar Refractivity
65.3512
Polarizability
24.868244
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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