Molecule

ID:11621

General Information
Structure
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-17-14-6-4-12(5-7-14)9-16-11-13-3-2-8-15-10-13/h2-8,10,16H,9,11H2,1H3
InChIKey
GFVGRXRPLSBJFO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
n1cc(CNCc2ccc(cc2)OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.98464453
LogD (pH = 7.4)
0.6591088
Log P
1.8807241
Molar Refractivity
68.2249
Polarizability
26.765114
Polar Surface Area
34.15
Rotatable Bonds
5
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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