Molecule

ID:48567

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₃
Molecular Mass
205.29936
Exact Mass
205.15789762
Charge
0
InChI
InChI=1S/C12H19N3/c1-10-4-2-3-7-15(10)12-6-5-11(8-13)9-14-12/h5-6,9-10H,2-4,7-8,13H2,1H3
InChIKey
PHOFXXBRPMHMMA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCCCC1C
Isomeric Smiles
N1(c2ncc(cc2)CN)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1461236
LogD (pH = 7.4)
-0.012481415
Log P
1.8507844
Molar Refractivity
63.6774
Polarizability
24.264328
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
No Data Available
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Molecule Details
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References
Bioactivity
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