Molecule
ID:86180
General Information
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-6(10-11)7-4-2-3-5-8(7)9/h2-5,11H,9H2,1H3
InChIKey
WRMSBMAMUDEZIW-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccccc1N)\C
Isomeric Smiles
N(=C(\c1c(cccc1)N)/C)/O
Calculated Properties
JChem
Acid pKa
9.365381
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7098617
LogD (pH = 7.4)
0.7067124
Log P
0.7114472
Molar Refractivity
44.9829
Polarizability
16.555231
Polar Surface Area
58.61
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
No Data Available
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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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