Molecule

ID:60763

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,6-7H,4-5,11H2
InChIKey
GCCVDWMQBDFSNA-UHFFFAOYSA-N
Canonic Smiles
NC1=CC(=O)CC(C1)c1ccco1
Isomeric Smiles
C1=C(CC(c2occc2)CC1=O)N
Calculated Properties
JChem
Acid pKa
17.602633
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2591483
LogD (pH = 7.4)
0.42265853
Log P
0.42519847
Molar Refractivity
50.156
Polarizability
18.486902
Polar Surface Area
56.23
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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