Molecule

ID:34626

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey
JKIHDSIADUBKPU-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)C(=O)N
Isomeric Smiles
c1c(ccc(c1)C(=O)N)CN
Calculated Properties
JChem
Acid pKa
14.48816
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0256646
LogD (pH = 7.4)
-1.9974144
Log P
-0.050345454
Molar Refractivity
43.6098
Polarizability
16.52047
Polar Surface Area
69.11
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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