Molecule

ID:77449

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-12-8-10-7-11(13-14-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
InChIKey
IUBUISGKALKRFN-UHFFFAOYSA-N
Canonic Smiles
CNCc1onc(c1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(o1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.79080427
LogD (pH = 7.4)
0.93137246
Log P
1.8492168
Molar Refractivity
55.3897
Polarizability
22.50427
Polar Surface Area
38.06
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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