Molecule

ID:45343

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂O
Molecular Mass
238.3011632
Exact Mass
238.14814146
Charge
0
InChI
InChI=1S/C13H19FN2O/c14-13-4-2-1-3-11(13)10-16-7-6-15-9-12(16)5-8-17/h1-4,12,15,17H,5-10H2
InChIKey
ARVYERXWXRSNMI-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccccc1F
Isomeric Smiles
N1(Cc2c(F)cccc2)C(CCO)CNCC1
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1448004
LogD (pH = 7.4)
-0.70885074
Log P
0.951041
Molar Refractivity
66.4004
Polarizability
25.811018
Polar Surface Area
35.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
3
H Donor
2
Log P
0.89
LOG S
-0.69
Polar Surface Area
35.5
Rotatable Bonds
4
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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