Molecule

ID:13440

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(7-8-15(19)20)16-13-5-3-12(4-6-13)11-17-9-1-2-10-17/h3-6H,1-2,7-11H2,(H,16,18)(H,19,20)
InChIKey
REBQICWMIKWUMS-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)CN1CCCC1)CCC(=O)O
Isomeric Smiles
c1(ccc(cc1)NC(=O)CCC(=O)O)CN1CCCC1
Calculated Properties
JChem
Acid pKa
3.759569
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3535705
LogD (pH = 7.4)
-1.3527772
Log P
-1.349304
Molar Refractivity
77.898
Polarizability
29.412369
Polar Surface Area
69.64
Rotatable Bonds
6
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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