Molecule

ID:31891

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFNO₂
Molecular Mass
233.6671232
Exact Mass
233.06188456
Charge
0
InChI
InChI=1S/C10H12FNO2.ClH/c1-12(6-5-10(13)14)9-4-2-3-8(11)7-9;/h2-4,7H,5-6H2,1H3,(H,13,14);1H
InChIKey
MUTQBMCZVUFJKN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN(c1cccc(c1)F)C.Cl
Isomeric Smiles
C(C(=O)O)CN(c1cc(F)ccc1)C.Cl
Calculated Properties
JChem
Acid pKa
4.361581
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7103664
LogD (pH = 7.4)
-1.0241587
Log P
1.733871
Molar Refractivity
51.487
Polarizability
19.064594
Polar Surface Area
40.54
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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