Molecule

ID:55036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₄
Molecular Mass
247.67546
Exact Mass
247.06113561
Charge
0
InChI
InChI=1S/C10H13NO4.ClH/c1-13-9-4-3-7(5-8(9)11)15-6-10(12)14-2;/h3-5H,6,11H2,1-2H3;1H
InChIKey
SFPMZOMIAGBZDS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)COc1ccc(c(c1)N)OC.Cl
Isomeric Smiles
c1(cc(OCC(=O)OC)ccc1OC)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4451535
LogD (pH = 7.4)
0.45275688
Log P
0.4528547
Molar Refractivity
54.5385
Polarizability
21.002073
Polar Surface Area
70.78
Rotatable Bonds
5
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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