Molecule

ID:70655

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-15-5-7-16(8-6-15)11-13-4-2-3-12(9-13)10-14/h2-4,9H,5-8,10-11,14H2,1H3
InChIKey
HMWCORSELDZBCN-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)CN1CCN(CC1)C
Isomeric Smiles
NCc1cc(ccc1)CN1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.898527
LogD (pH = 7.4)
-2.1806247
Log P
0.8875306
Molar Refractivity
69.1242
Polarizability
27.112268
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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