Molecule

ID:45447

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-3-10(13)12-8-5-4-7(11)6-9(8)14-2/h4-6H,3,11H2,1-2H3,(H,12,13)
InChIKey
MZWSGDHOSFVXCS-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Nc1ccc(cc1OC)N
Isomeric Smiles
N(c1c(cc(N)cc1)OC)C(=O)CC
Calculated Properties
JChem
Acid pKa
13.399358
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.91805553
LogD (pH = 7.4)
0.9248076
Log P
0.9248948
Molar Refractivity
56.7115
Polarizability
20.712526
Polar Surface Area
64.35
Rotatable Bonds
3
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
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References
Bioactivity
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