Molecule

ID:41722

General Information
Structure
Molecular Formula
C₉H₁₀ClFN₂O
Molecular Mass
216.6399032
Exact Mass
216.04656885
Charge
0
InChI
InChI=1S/C9H10ClFN2O/c10-5-6-12-9(14)13-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H2,12,13,14)
InChIKey
NQVQWNNGRKPRIW-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)NCCCl
Calculated Properties
JChem
Acid pKa
13.884441
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.9082785
LogD (pH = 7.4)
1.9082783
Log P
1.9082785
Molar Refractivity
54.0541
Polarizability
19.778418
Polar Surface Area
41.13
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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