Molecule

ID:16641

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O₂
Molecular Mass
268.73928
Exact Mass
268.09785547
Charge
0
InChI
InChI=1S/C13H17ClN2O2/c1-18-12-4-2-11(3-5-12)15-6-8-16(9-7-15)13(17)10-14/h2-5H,6-10H2,1H3
InChIKey
ZEGOLGPYOZQVCA-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)c1ccc(cc1)OC
Isomeric Smiles
N1(c2ccc(cc2)OC)CCN(CC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5217578
LogD (pH = 7.4)
1.5348072
Log P
1.5349761
Molar Refractivity
72.0243
Polarizability
27.364054
Polar Surface Area
32.78
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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