Molecule

ID:40185

General Information
Structure
MolImage
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)12-16-15-11(8-14)17-12/h4-7H,8H2,1-3H3
InChIKey
LKDRJSXAQNUYMR-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(oc(n1)CCl)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1849205
LogD (pH = 7.4)
3.1849205
Log P
3.1849205
Molar Refractivity
79.945
Polarizability
26.65989
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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