Molecule

ID:74674

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey
GQZILHANXWXTIW-UHFFFAOYSA-N
Canonic Smiles
OCc1cncn1Cc1ccccc1
Isomeric Smiles
n1(c(cnc1)CO)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.424379
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5157371
LogD (pH = 7.4)
0.9323392
Log P
0.95557636
Molar Refractivity
55.2155
Polarizability
20.952028
Polar Surface Area
38.05
Rotatable Bonds
3
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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