Molecule

ID:53637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₂
Molecular Mass
192.21448
Exact Mass
192.08987763
Charge
0
InChI
InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
InChIKey
MHCRLDZZHOVFEE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCOCC1=O
Isomeric Smiles
N1(C(=O)COCC1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
15.86964
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.10883807
LogD (pH = 7.4)
-0.099668376
Log P
-0.09955019
Molar Refractivity
53.2217
Polarizability
20.004368
Polar Surface Area
55.56
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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