Molecule

ID:63041

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c1-11(18)17-9-3-4-12(10-17)14-6-2-5-13(16-14)7-8-15(19)20/h2,5-6,12H,3-4,7-10H2,1H3,(H,19,20)
InChIKey
SFVAZYOCGJGPIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cccc(n1)C1CCCN(C1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CC(c2nc(CCC(=O)O)ccc2)CCC1
Calculated Properties
JChem
Acid pKa
3.445059
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7043681
LogD (pH = 7.4)
-2.3681128
Log P
0.0805519
Molar Refractivity
73.8209
Polarizability
28.854813
Polar Surface Area
70.5
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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