Molecule

ID:97682

General Information
Structure
Molecular Formula
C₉H₁₃ClFN
Molecular Mass
189.6576232
Exact Mass
189.07205532
Charge
0
InChI
InChI=1S/C9H12FN.ClH/c1-6-5-8(7(2)11)3-4-9(6)10;/h3-5,7H,11H2,1-2H3;1H/t7-;/m0./s1
InChIKey
HZEFSEOLAJTAQO-FJXQXJEOSA-N
Canonic Smiles
C[C@@H](c1ccc(c(c1)C)F)N.Cl
Isomeric Smiles
N[C@H](c1cc(c(cc1)F)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.83380365
LogD (pH = 7.4)
-0.06990047
Log P
2.1717126
Molar Refractivity
44.2078
Polarizability
16.946316
Polar Surface Area
26.02
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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