Molecule

ID:21815

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₃
Molecular Mass
330.42134
Exact Mass
330.1943427
Charge
0
InChI
InChI=1S/C19H26N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H,23,24)
InChIKey
WFBJXOSYXVXMGA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1C(=O)O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C1C(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
4.190383
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1788771
LogD (pH = 7.4)
-0.6003877
Log P
-0.19069731
Molar Refractivity
92.3641
Polarizability
36.05632
Polar Surface Area
60.85
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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