Molecule

ID:50469

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂
Molecular Mass
204.3113
Exact Mass
204.16264865
Charge
0
InChI
InChI=1S/C13H20N2/c14-8-6-13-7-9-15(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2
InChIKey
IBSQNIPUVCQZAC-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CC(CC1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.8894014
LogD (pH = 7.4)
-3.4912825
Log P
1.5864211
Molar Refractivity
64.8005
Polarizability
25.600323
Polar Surface Area
29.26
Rotatable Bonds
4
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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