Molecule

ID:43689

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₂
Molecular Mass
228.67542
Exact Mass
228.06655535
Charge
0
InChI
InChI=1S/C10H13ClN2O2/c1-15-9-4-2-8(3-5-9)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKey
CNYYWOOAIIXDLZ-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc(cc1)OC
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)NCCCl
Calculated Properties
JChem
Acid pKa
14.219151
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6079053
LogD (pH = 7.4)
1.6079053
Log P
1.6079053
Molar Refractivity
60.3009
Polarizability
22.566545
Polar Surface Area
50.36
Rotatable Bonds
4
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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