Molecule

ID:84232

General Information
Structure
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H15ClN2O/c1-13(2,3)10-6-4-9(5-7-10)12-15-11(8-14)17-16-12/h4-7H,8H2,1-3H3
InChIKey
ZLQQUIHBQATFOP-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(onc1c1ccc(cc1)C(C)(C)C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.52332
LogD (pH = 7.4)
4.52332
Log P
4.52332
Molar Refractivity
79.945
Polarizability
26.658104
Polar Surface Area
38.92
Rotatable Bonds
3
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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