Molecule

ID:12341

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c19-15(7-8-16(20)21)18-10-4-9-17(11-12-18)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,20,21)
InChIKey
HRFXOPMABCMNTB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCCN(CC1)Cc1ccccc1
Isomeric Smiles
C1N(CCN(CC1)Cc1ccccc1)C(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.1942854
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8491685
LogD (pH = 7.4)
-1.8939892
Log P
-1.8391591
Molar Refractivity
80.6807
Polarizability
31.263767
Polar Surface Area
60.85
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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