Molecule

ID:12645

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClFNO
Molecular Mass
255.7157032
Exact Mass
255.08262001
Charge
0
InChI
InChI=1S/C13H14FNO.ClH/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13;/h1-6,9,15H,7-8,10H2;1H
InChIKey
MVYLDHHFDRILFM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCNCc1ccco1.Cl
Isomeric Smiles
c1c(ccc(c1)CCNCc1occc1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.10190869
LogD (pH = 7.4)
1.5487236
Log P
2.7476776
Molar Refractivity
61.2809
Polarizability
23.407583
Polar Surface Area
25.17
Rotatable Bonds
5
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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