Molecule

ID:45367

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKey
WOVFLKLOFKVOKY-UHFFFAOYSA-N
Canonic Smiles
CCOCC(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COCC
Calculated Properties
JChem
Acid pKa
14.273351
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.554033
LogD (pH = 7.4)
0.56458044
Log P
0.56471664
Molar Refractivity
56.8234
Polarizability
20.726967
Polar Surface Area
64.35
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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