Molecule

ID:33339

General Information
Structure
Molecular Formula
C₉H₁₀ClFN₂O
Molecular Mass
216.6399032
Exact Mass
216.04656885
Charge
0
InChI
InChI=1S/C9H9FN2O.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H
InChIKey
GJZDVSRAMAXBGI-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(o1)ccc(c2)F.Cl
Isomeric Smiles
n1c(oc2c1cc(cc2)F)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0628426
LogD (pH = 7.4)
-0.9559727
Log P
0.898515
Molar Refractivity
45.4393
Polarizability
18.610365
Polar Surface Area
52.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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