Molecule

ID:124070

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-12(6-7-13)10(14)8-4-2-3-5-9(8)11/h2-5,13H,6-7,11H2,1H3
InChIKey
YXFJMJULNZKBNW-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)c1ccccc1N)C
Isomeric Smiles
C(=O)(c1c(N)cccc1)N(CCO)C
Calculated Properties
JChem
Acid pKa
15.574232
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.40134662
LogD (pH = 7.4)
0.4021994
Log P
0.40221027
Molar Refractivity
55.9225
Polarizability
20.455547
Polar Surface Area
66.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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