Molecule

ID:118439

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂
Molecular Mass
164.24744
Exact Mass
164.13134852
Charge
0
InChI
InChI=1S/C10H16N2/c1-12(2)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8,11H2,1-2H3
InChIKey
XPKKPVBDOPPWJU-UHFFFAOYSA-N
Canonic Smiles
CN(CCc1ccc(cc1)N)C
Isomeric Smiles
N(CCc1ccc(N)cc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0177028
LogD (pH = 7.4)
-0.59004575
Log P
1.3743778
Molar Refractivity
54.0561
Polarizability
20.318398
Polar Surface Area
29.26
Rotatable Bonds
3
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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