Molecule
ID:73498
General Information
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-7(10-6-11)8-4-2-3-5-9-8/h2-7H,1H3,(H,10,11)
InChIKey
WDQHLUIFRDFEMM-UHFFFAOYSA-N
Canonic Smiles
O=CNC(c1ccccn1)C
Isomeric Smiles
n1ccccc1C(NC=O)C
Calculated Properties
JChem
Acid pKa
15.294683
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28698176
LogD (pH = 7.4)
0.30153686
Log P
0.30172586
Molar Refractivity
41.2995
Polarizability
16.158453
Polar Surface Area
41.99
Rotatable Bonds
2
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
No Data Available
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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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