Molecule

ID:46381

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClFNO
Molecular Mass
273.7740432
Exact Mass
273.1295702
Charge
0
InChI
InChI=1S/C14H20FNO.ClH/c15-13-5-3-4-12(10-13)11-17-9-7-14-6-1-2-8-16-14;/h3-5,10,14,16H,1-2,6-9,11H2;1H
InChIKey
RUAXXINBQUZPBR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2cc(F)ccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.63415074
LogD (pH = 7.4)
-0.177201
Log P
2.597414
Molar Refractivity
67.2435
Polarizability
26.193396
Polar Surface Area
21.26
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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