Molecule

ID:105626

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂NO₂
Molecular Mass
292.20146
Exact Mass
291.07928421
Charge
0
InChI
InChI=1S/C13H18ClNO2.ClH/c1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10;/h4-7,9H,8,15H2,1-3H3;1H
InChIKey
OPAKSOWFKIUFNP-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC(Cc1ccc(cc1)Cl)(C)C)N.Cl
Isomeric Smiles
Cl.CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0634214
LogD (pH = 7.4)
2.6103787
Log P
2.8815134
Molar Refractivity
68.4958
Polarizability
27.372486
Polar Surface Area
52.32
Rotatable Bonds
5
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
References
Bioactivity
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