Molecule

ID:66498

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-5-3-2-4-12(13)10-14/h2-5H,6-11,14H2,1H3
InChIKey
OKGWICVOLZFMPE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1CN1CCN(CC1)C
Isomeric Smiles
NCc1c(cccc1)CN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9728975
LogD (pH = 7.4)
-2.2339525
Log P
0.8875306
Molar Refractivity
69.1242
Polarizability
27.112272
Polar Surface Area
32.5
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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