Molecule

ID:69834

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCNCC1)Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.47
LogD (pH = 5.5)
-1.81
Log P
1.38
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.26
Polar Surface Area
15.27
Polarizability
20.72
Molar Refractivity
55.36
LOG S
-0.79
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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