Molecule

ID:68361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)
InChIKey
UITNIDFEANEWPC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNc1ccccn1
Isomeric Smiles
C(=O)(CCNc1ccccn1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1561603
LogD (pH = 7.4)
0.99616706
Log P
1.0405071
Molar Refractivity
54.7101
Polarizability
20.549538
Polar Surface Area
51.22
Rotatable Bonds
6
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
References
Bioactivity
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