Molecule

ID:33327

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClFN
Molecular Mass
189.6576232
Exact Mass
189.07205532
Charge
0
InChI
InChI=1S/C9H12FN.ClH/c1-7(11-2)8-3-5-9(10)6-4-8;/h3-7,11H,1-2H3;1H
InChIKey
OGCJBMKSZJSIIR-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(cc1)F)C.Cl
Isomeric Smiles
c1(ccc(cc1)F)C(NC)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0904983
LogD (pH = 7.4)
-0.043074764
Log P
2.0908716
Molar Refractivity
43.9412
Polarizability
17.022034
Polar Surface Area
12.03
Rotatable Bonds
2
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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