Molecule

ID:50442

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FN₂O
Molecular Mass
222.2587032
Exact Mass
222.11684133
Charge
0
InChI
InChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)9-15-8-7-14-6-5-12(15)16/h1-4,14H,5-9H2
InChIKey
DVEASQRPUZYFGA-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNCCN1Cc1ccccc1F
Isomeric Smiles
N1(C(=O)CCNCC1)Cc1c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6972086
LogD (pH = 7.4)
0.034916382
Log P
0.8581772
Molar Refractivity
59.953
Polarizability
23.046505
Polar Surface Area
32.34
Rotatable Bonds
2
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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