Molecule

ID:42625

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClF₂NO₃
Molecular Mass
269.6728664
Exact Mass
269.06302743
Charge
0
InChI
InChI=1S/C10H14ClF2NO3/c1-2-17-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKey
KSIIHIZFWNXJSH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)C(Cl)(F)F
Isomeric Smiles
C(=O)(C(F)(F)Cl)N1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3318917
LogD (pH = 7.4)
1.3318917
Log P
1.3318917
Molar Refractivity
58.0039
Polarizability
22.066124
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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