Molecule

ID:31480

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChIKey
FNCALUISHXHMND-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CC(=O)O)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
Acid pKa
0.9454118
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4867412
LogD (pH = 7.4)
-1.4976661
Log P
-1.484174
Molar Refractivity
66.7354
Polarizability
26.04929
Polar Surface Area
43.78
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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