Molecule

ID:35647

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂
Molecular Mass
150.22086
Exact Mass
150.11569846
Charge
0
InChI
InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
InChIKey
ACYBVNYNIZTUIL-UHFFFAOYSA-N
Canonic Smiles
NCCNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8105845
LogD (pH = 7.4)
-1.5999243
Log P
0.73461086
Molar Refractivity
47.2558
Polarizability
18.956804
Polar Surface Area
38.05
Rotatable Bonds
4
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
References
Bioactivity
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