Molecule

ID:37840

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFNO
Molecular Mass
217.6677232
Exact Mass
217.06696994
Charge
0
InChI
InChI=1S/C10H12FNO.ClH/c11-9-3-1-2-8(4-9)7-13-10-5-12-6-10;/h1-4,10,12H,5-7H2;1H
InChIKey
BZSUJDZAVLZKRE-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COC1CNC1.Cl
Isomeric Smiles
C1NCC1OCc1cc(ccc1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4390745
LogD (pH = 7.4)
0.13390018
Log P
1.5155632
Molar Refractivity
48.2671
Polarizability
18.838995
Polar Surface Area
21.26
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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