Molecule

ID:35513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-14-9-4-2-3-8(7-9)5-6-10(13)12-11/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKey
QKYJPNFDEZUAGS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCc1cccc(c1)OC
Isomeric Smiles
C(=O)(NN)CCc1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
12.760709
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.79192287
LogD (pH = 7.4)
0.79443926
Log P
0.7944732
Molar Refractivity
54.7361
Polarizability
21.0044
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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