Molecule

ID:118330

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O
Molecular Mass
150.1778
Exact Mass
150.07931295
Charge
0
InChI
InChI=1S/C8H10N2O/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,1-2H3
InChIKey
BEWJBWOTPJWGOX-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccco1)N(C)C
Isomeric Smiles
C(c1occc1)(C#N)N(C)C
Calculated Properties
JChem
Acid pKa
12.165404
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.68814987
LogD (pH = 7.4)
0.7223167
Log P
0.72277766
Molar Refractivity
41.8008
Polarizability
15.924858
Polar Surface Area
40.17
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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