Molecule

ID:18754

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)10-11-19-13-4-2-12(3-5-13)14(17)18/h2-5H,6-11H2,1H3,(H,17,18)
InChIKey
MKUXKMKQINFDFG-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCOc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCN(CC1)C)O
Calculated Properties
JChem
Acid pKa
4.301979
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.3866315
LogD (pH = 7.4)
-1.410986
Log P
-1.3728272
Molar Refractivity
73.8466
Polarizability
28.546116
Polar Surface Area
53.01
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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