Molecule
ID:113974
General Information
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-5-3-6(2)10-4-7(5)8(9)11/h3-4H,1-2H3,(H2,9,11)
InChIKey
DVBWVOJRHMVPTR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)ncc1C(=O)N
Isomeric Smiles
c1(C(=O)N)c(cc(nc1)C)C
Calculated Properties
JChem
Acid pKa
14.010412
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.018727878
LogD (pH = 7.4)
0.24705525
Log P
0.25100523
Molar Refractivity
42.6122
Polarizability
15.797391
Polar Surface Area
55.98
Rotatable Bonds
1
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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