Molecule

ID:97698

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClFN
Molecular Mass
203.6842032
Exact Mass
203.08770539
Charge
0
InChI
InChI=1S/C10H14FN.ClH/c1-2-3-10(12)8-4-6-9(11)7-5-8;/h4-7,10H,2-3,12H2,1H3;1H/t10-;/m0./s1
InChIKey
OSTHHMQMMDZLCD-PPHPATTJSA-N
Canonic Smiles
CCC[C@@H](c1ccc(cc1)F)N.Cl
Isomeric Smiles
N[C@H](c1ccc(cc1)F)CCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.37904313
LogD (pH = 7.4)
0.39832032
Log P
2.6253822
Molar Refractivity
48.2916
Polarizability
18.864552
Polar Surface Area
26.02
Rotatable Bonds
3
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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