Molecule

ID:51228

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c12-6-5-11-7-10-8-3-1-2-4-9(8)11/h1-4,7,12H,5-6H2
InChIKey
DJRLXHBFATVHJX-UHFFFAOYSA-N
Canonic Smiles
OCCn1cnc2c1cccc2
Isomeric Smiles
n1cn(c2c1cccc2)CCO
Calculated Properties
JChem
Acid pKa
15.456409
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.494838
LogD (pH = 7.4)
0.78695816
Log P
0.79307806
Molar Refractivity
46.1575
Polarizability
18.877935
Polar Surface Area
38.05
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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