Molecule

ID:97697

General Information
Structure
Molecular Formula
C₁₀H₁₅ClFN
Molecular Mass
203.6842032
Exact Mass
203.08770539
Charge
0
InChI
InChI=1S/C10H14FN.ClH/c1-7(2)10(12)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H/t10-;/m0./s1
InChIKey
GFLUEYAXNOWLIN-PPHPATTJSA-N
Canonic Smiles
N[C@H](c1ccc(cc1)F)C(C)C.Cl
Isomeric Smiles
N[C@H](c1ccc(cc1)F)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4622777
LogD (pH = 7.4)
0.26829082
Log P
2.5457864
Molar Refractivity
48.1622
Polarizability
18.864515
Polar Surface Area
26.02
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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