Molecule

ID:11516

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₃
Molecular Mass
276.3309
Exact Mass
276.14739251
Charge
0
InChI
InChI=1S/C15H20N2O3/c18-14(8-5-9-15(19)20)16-12-6-1-2-7-13(12)17-10-3-4-11-17/h1-2,6-7H,3-5,8-11H2,(H,16,18)(H,19,20)
InChIKey
RXCHQZAODINVFM-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1N1CCCC1)CCCC(=O)O
Isomeric Smiles
c1(c(cccc1)N1CCCC1)NC(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.291592
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5464575
LogD (pH = 7.4)
-1.1035519
Log P
1.3236998
Molar Refractivity
78.3849
Polarizability
29.038446
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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