Molecule

ID:16140

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-2-6-14-13(5-1)11(9-16-14)8-15-10-12-4-3-7-17-12/h1-7,9,15-16H,8,10H2
InChIKey
BBKIWSNSSIOBHU-UHFFFAOYSA-N
Canonic Smiles
N(Cc1c[nH]c2c1cccc2)Cc1ccco1
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNCc1occc1
Calculated Properties
JChem
Acid pKa
15.975804
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.053147033
LogD (pH = 7.4)
1.6810545
Log P
2.4150765
Molar Refractivity
67.396
Polarizability
27.245459
Polar Surface Area
40.96
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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