Molecule

ID:70708

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₃N
Molecular Mass
237.6492496
Exact Mass
237.0532117
Charge
0
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9;/h1,4-5,14H,2-3,6H2;1H
InChIKey
ZMLUGKOFBXISKQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc2c1CCCN2)(F)F.Cl
Isomeric Smiles
N1CCCc2c(cccc12)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7652717
LogD (pH = 7.4)
2.80776
Log P
2.8083296
Molar Refractivity
50.1361
Polarizability
17.294422
Polar Surface Area
12.03
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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