Molecule

ID:50782

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₃
Molecular Mass
231.67606
Exact Mass
231.06622099
Charge
0
InChI
InChI=1S/C10H13NO3.ClH/c1-6-4-7(10(12)14-3)9(13-2)8(11)5-6;/h4-5H,11H2,1-3H3;1H
InChIKey
FERUJRZGLWCPSZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C)cc(c1OC)N.Cl
Isomeric Smiles
c1(c(c(cc(c1)C)N)OC)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5009882
LogD (pH = 7.4)
1.5035146
Log P
1.503547
Molar Refractivity
54.2881
Polarizability
20.19054
Polar Surface Area
61.55
Rotatable Bonds
3
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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