Molecule

ID:28458

General Information
Structure
Molecular Formula
C₁₆H₁₆N₂
Molecular Mass
236.31164
Exact Mass
236.13134852
Charge
0
InChI
InChI=1S/C16H16N2/c1-2-4-13(5-3-1)11-17-12-14-6-7-15-8-9-18-16(15)10-14/h1-10,17-18H,11-12H2
InChIKey
UXSDTZMLCXNFPJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CNCc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.34722
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.25905985
LogD (pH = 7.4)
1.6212367
Log P
3.3548298
Molar Refractivity
75.0051
Polarizability
30.49943
Polar Surface Area
27.82
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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