Molecule

ID:45406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-14-6-10(13)12-8-4-3-7(11)5-9(8)15-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
DORGJEXJFJCARM-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)Nc1ccc(cc1OC)N
Isomeric Smiles
N(c1c(cc(N)cc1)OC)C(=O)COC
Calculated Properties
JChem
Acid pKa
12.392604
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.044606812
LogD (pH = 7.4)
0.050161876
Log P
0.05023742
Molar Refractivity
58.538
Polarizability
21.430552
Polar Surface Area
73.58
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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