Molecule

ID:73336

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)
InChIKey
SRCREJLHAPEANJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1C)NC(=O)C
Isomeric Smiles
N#Cc1c(cc(cc1)NC(=O)C)C
Calculated Properties
JChem
Acid pKa
14.074
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5804738
LogD (pH = 7.4)
1.5804737
Log P
1.5804738
Molar Refractivity
51.6838
Polarizability
18.800417
Polar Surface Area
52.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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