Molecule

ID:87992

General Information
Structure
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,10H2
InChIKey
GSVNKQLSALKJHW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)CN1CCOCC1
Isomeric Smiles
O1CCN(CC1)Cc1cccc(c1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6265919
LogD (pH = 7.4)
1.513336
Log P
1.5522383
Molar Refractivity
59.3968
Polarizability
22.853144
Polar Surface Area
36.26
Rotatable Bonds
2
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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