Molecule

ID:30878

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClFN₂O
Molecular Mass
230.6664832
Exact Mass
230.06221891
Charge
0
InChI
InChI=1S/C10H11FN2O.ClH/c11-8-3-1-2-4-9(8)13-6-7(12)5-10(13)14;/h1-4,7H,5-6,12H2;1H
InChIKey
JQZOPHRDQIMMBN-UHFFFAOYSA-N
Canonic Smiles
NC1CC(=O)N(C1)c1ccccc1F.Cl
Isomeric Smiles
N1(C(=O)CC(C1)N)c1c(F)cccc1.Cl
Calculated Properties
JChem
Acid pKa
18.98942
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4135065
LogD (pH = 7.4)
-0.95371646
Log P
0.4188492
Molar Refractivity
50.0136
Polarizability
19.371674
Polar Surface Area
46.33
Rotatable Bonds
1
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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