Molecule

ID:81652

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₂O₂
Molecular Mass
292.76068
Exact Mass
292.09785547
Charge
0
InChI
InChI=1S/C15H17ClN2O2/c1-3-5-14-13(15(19)20-4-2)10-17-18(14)12-8-6-11(16)7-9-12/h6-10H,3-5H2,1-2H3
InChIKey
FHEOHDCVJDCEKF-UHFFFAOYSA-N
Canonic Smiles
CCCc1c(cnn1c1ccc(cc1)Cl)C(=O)OCC
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(c(cn1)C(=O)OCC)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.190035
LogD (pH = 7.4)
4.1900463
Log P
4.1900463
Molar Refractivity
80.2731
Polarizability
30.975796
Polar Surface Area
44.12
Rotatable Bonds
6
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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