Molecule

ID:92583

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2
InChIKey
WXZFICVYQDEYTK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CN1CCOCC1
Isomeric Smiles
N#Cc1c(cccc1)CN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1437887
LogD (pH = 7.4)
1.543781
Log P
1.5522383
Molar Refractivity
59.3968
Polarizability
22.853472
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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