Molecule

ID:48522

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-2-10-6-3-4-9-15(10)12-11(13)7-5-8-14-12/h5,7-8,10H,2-4,6,9,13H2,1H3
InChIKey
SPUFTYVJANTLIY-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1c1ncccc1N
Isomeric Smiles
N1(c2ncccc2N)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2245743
LogD (pH = 7.4)
2.2863295
Log P
2.4186125
Molar Refractivity
64.4284
Polarizability
23.875374
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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