Molecule

ID:63021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2
InChIKey
HAPUOOBIEAPWAZ-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)Cc1ccccn1
Isomeric Smiles
N1C(Cc2ncccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.149566
LogD (pH = 7.4)
-1.8981533
Log P
1.0979714
Molar Refractivity
48.5375
Polarizability
19.373848
Polar Surface Area
24.92
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
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Molecule Details
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References
Bioactivity
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