Molecule

ID:13339

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁FN₂O
Molecular Mass
252.3277432
Exact Mass
252.16379152
Charge
0
InChI
InChI=1S/C14H21FN2O/c15-14-4-2-13(3-5-14)12-16-6-1-7-17-8-10-18-11-9-17/h2-5,16H,1,6-12H2
InChIKey
GYOBGFHXRZIXEL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCCCN1CCOCC1
Isomeric Smiles
C1OCCN(C1)CCCNCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3600588
LogD (pH = 7.4)
-0.7170744
Log P
1.5344003
Molar Refractivity
71.4814
Polarizability
27.722986
Polar Surface Area
24.5
Rotatable Bonds
6
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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