Molecule

ID:30482

General Information
Structure
Molecular Formula
C₁₉H₂₂N₂O₂
Molecular Mass
310.39018
Exact Mass
310.16812795
Charge
0
InChI
InChI=1S/C19H22N2O2/c22-18(23)15-20-11-13-21(14-12-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,23)
InChIKey
YCKSFFKKEWTLIZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
N1(C(c2ccccc2)c2ccccc2)CCN(CC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.6259043
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.29640168
LogD (pH = 7.4)
0.2815078
Log P
0.29926476
Molar Refractivity
91.0182
Polarizability
35.65253
Polar Surface Area
43.78
Rotatable Bonds
5
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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