Molecule

ID:53218

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O₂
Molecular Mass
268.73928
Exact Mass
268.09785547
Charge
0
InChI
InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-6-10-9(8-16)4-5-11(14)15-10/h4-5H,6-8H2,1-3H3
InChIKey
LPZHKCVGWZFNDC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)ccc(n2)Cl)OC(C)(C)C
Isomeric Smiles
c1(ccc2c(n1)CCN(C2)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4910467
LogD (pH = 7.4)
2.491049
Log P
2.491049
Molar Refractivity
70.7421
Polarizability
27.290693
Polar Surface Area
42.43
Rotatable Bonds
2
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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