Molecule

ID:35181

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₃
Molecular Mass
259.72922
Exact Mass
259.09752112
Charge
0
InChI
InChI=1S/C12H17NO3.ClH/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9;/h4-7,11H,3,8,13H2,1-2H3;1H
InChIKey
DVFQZDPNVWTMNK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc(cc1)OC)N.Cl
Isomeric Smiles
C(C(=O)OCC)C(c1ccc(cc1)OC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6376781
LogD (pH = 7.4)
-0.21814644
Log P
1.218808
Molar Refractivity
60.9665
Polarizability
24.340784
Polar Surface Area
61.55
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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