Molecule

ID:55432

General Information
Structure
Molecular Formula
C₁₅H₂₃ClN₂O₄
Molecular Mass
330.80712
Exact Mass
330.13463491
Charge
0
InChI
InChI=1S/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H
InChIKey
QPNJISLOYQGQTI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CCCCNC(=O)OCc1ccccc1)N.Cl
Isomeric Smiles
N(CCCCC(N)C(=O)OC)C(=O)OCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
15.658917
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.27521196
LogD (pH = 7.4)
1.298071
Log P
1.5978929
Molar Refractivity
78.2586
Polarizability
31.10712
Polar Surface Area
90.65
Rotatable Bonds
10
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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