Molecule

ID:65264

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c14-10-11(6-12-7-11)8-13(10)9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKey
JGOYKNYAYFJVST-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CC21CNC2)c1ccccc1
Isomeric Smiles
C12(CNC1)C(=O)N(C2)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7317894
LogD (pH = 7.4)
-1.4526685
Log P
0.39509794
Molar Refractivity
52.9729
Polarizability
20.798851
Polar Surface Area
32.34
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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