Molecule
ID:58088
General Information
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-5-4-7(11)10-8(9-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,10,11)
InChIKey
OOOLAZSWCDZAFE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)nc(n1)C1CC1
Isomeric Smiles
c1(nc(cc(n1)C)O)C1CC1
Calculated Properties
JChem
Acid pKa
12.7016945
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8175317
LogD (pH = 7.4)
1.8175696
Log P
1.8175722
Molar Refractivity
41.6318
Polarizability
15.636819
Polar Surface Area
46.01
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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