Molecule

ID:20848

General Information
Structure
Molecular Formula
C₁₁H₁₃ClFNO
Molecular Mass
229.6784232
Exact Mass
229.06696994
Charge
0
InChI
InChI=1S/C11H13ClFNO/c12-10-6-8(13)3-4-11(10)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
RXOAMMSCBMWHSC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)OC1CCCNC1
Isomeric Smiles
c1(c(cc(cc1)F)Cl)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49825934
LogD (pH = 7.4)
0.65145326
Log P
2.6634822
Molar Refractivity
57.478
Polarizability
22.596079
Polar Surface Area
21.26
Rotatable Bonds
2
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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