Molecule
ID:59404
General Information
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c1-2-8-5-3-4-6-9(8)12-10(13)7-11-14/h3-7,14H,2H2,1H3,(H,12,13)/b11-7+
InChIKey
NHBQYDKOSSXFOC-YRNVUSSQSA-N
Canonic Smiles
O/N=C/C(=O)Nc1ccccc1CC
Isomeric Smiles
C(=O)(Nc1c(CC)cccc1)/C=N/O
Calculated Properties
JChem
Acid pKa
6.2322946
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1946259
LogD (pH = 7.4)
1.0978884
Log P
2.2680967
Molar Refractivity
55.2412
Polarizability
20.238773
Polar Surface Area
61.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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