Molecule

ID:30252

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO₃
Molecular Mass
261.7451
Exact Mass
261.11317119
Charge
0
InChI
InChI=1S/C12H19NO3.ClH/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13;/h6H,5,7,13H2,1-4H3;1H
InChIKey
DRGGIWGQERPCHX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1CN)C(C)(C)C.Cl
Isomeric Smiles
c1(cc(oc1CN)C(C)(C)C)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23822531
LogD (pH = 7.4)
1.4448738
Log P
1.9846032
Molar Refractivity
62.2396
Polarizability
24.12236
Polar Surface Area
65.46
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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