Molecule

ID:48331

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-15(11-5-3-2-4-6-11)12-8-7-10(13)9-14-12/h7-9,11H,2-6,13H2,1H3
InChIKey
NFYSXZBRDRIRER-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)N(C1CCCCC1)C
Isomeric Smiles
c1(ncc(N)cc1)N(C1CCCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.278095
LogD (pH = 7.4)
2.3172245
Log P
2.4284194
Molar Refractivity
64.3578
Polarizability
23.874102
Polar Surface Area
42.15
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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