Molecule

ID:112562

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11)
InChIKey
SQBHGDSDVWCPHN-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Nc1ccccc1
Isomeric Smiles
CNC(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.61572
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.1010867
LogD (pH = 7.4)
1.1010865
Log P
1.1010867
Molar Refractivity
44.4944
Polarizability
16.340658
Polar Surface Area
41.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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