Molecule

ID:48556

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O₂
Molecular Mass
268.73928
Exact Mass
268.09785547
Charge
0
InChI
InChI=1S/C13H17ClN2O2/c1-16(9-10-4-7-18-8-5-10)13(17)11-3-2-6-15-12(11)14/h2-3,6,10H,4-5,7-9H2,1H3
InChIKey
DJLRDNRIWSREMX-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccnc1Cl)CC1CCOCC1
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)N(CC1CCOCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2995732
LogD (pH = 7.4)
1.2995745
Log P
1.2995745
Molar Refractivity
71.9325
Polarizability
27.104794
Polar Surface Area
42.43
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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