Molecule

ID:13437

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(4-3-5-15(19)20)16-12-6-8-13(9-7-12)17-10-1-2-11-17/h6-9H,1-5,10-11H2,(H,16,18)(H,19,20)
InChIKey
PPICKBJUGOIFSD-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N1CCCC1)CCCC(=O)O
Isomeric Smiles
c1c(ccc(c1)NC(=O)CCCC(=O)O)N1CCCC1
Calculated Properties
JChem
Acid pKa
4.177924
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.71170855
LogD (pH = 7.4)
-0.9584802
Log P
1.0319755
Molar Refractivity
78.3849
Polarizability
29.036777
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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