Molecule

ID:57632

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-7,13H,8H2
InChIKey
UCPVQFRIXFGLOJ-UHFFFAOYSA-N
Canonic Smiles
OCc1cnn(c1)c1ccccc1
Isomeric Smiles
n1cc(cn1c1ccccc1)CO
Calculated Properties
JChem
Acid pKa
14.571355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2916887
LogD (pH = 7.4)
1.2917142
Log P
1.2917145
Molar Refractivity
51.2356
Polarizability
19.86673
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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