Molecule

ID:13402

General Information
Structure
Molecular Formula
C₁₃H₁₉FN₂O
Molecular Mass
238.3011632
Exact Mass
238.14814146
Charge
0
InChI
InChI=1S/C13H19FN2O/c14-13-4-2-1-3-12(13)11-15-5-6-16-7-9-17-10-8-16/h1-4,15H,5-11H2
InChIKey
ZVEFYZVIDLTNKH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNCCN1CCOCC1
Isomeric Smiles
c1(c(cccc1)F)CNCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4452931
LogD (pH = 7.4)
0.21516223
Log P
1.4744407
Molar Refractivity
66.616
Polarizability
25.88295
Polar Surface Area
24.5
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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