Molecule

ID:33767

General Information
Structure
Molecular Formula
C₈H₁₀ClNO₃
Molecular Mass
203.6229
Exact Mass
203.03492087
Charge
0
InChI
InChI=1S/C8H10ClNO3/c1-3-12-8(11)7-6(4-9)5(2)13-10-7/h3-4H2,1-2H3
InChIKey
MIIDXFUCLVBTAA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1CCl)C
Isomeric Smiles
c1(c(c(on1)C)CCl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6707299
LogD (pH = 7.4)
1.6707299
Log P
1.6707299
Molar Refractivity
48.9185
Polarizability
18.175638
Polar Surface Area
52.33
Rotatable Bonds
4
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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