Molecule

ID:88663

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c12-9-10-3-1-2-4-11(10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChIKey
KSUYFCSSOHFITQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1N1CCOCC1
Isomeric Smiles
N1(c2c(cccc2)C#N)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7188854
LogD (pH = 7.4)
1.7188854
Log P
1.7188854
Molar Refractivity
55.2827
Polarizability
20.62611
Polar Surface Area
36.26
Rotatable Bonds
1
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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