Molecule

ID:36330

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉FN₂O₃
Molecular Mass
330.3534632
Exact Mass
330.1379707
Charge
0
InChI
InChI=1S/C18H19FN2O3/c19-16-9-5-4-6-14(16)10-11-20-17(22)12-21(13-18(23)24)15-7-2-1-3-8-15/h1-9H,10-13H2,(H,20,22)(H,23,24)
InChIKey
YGXUSIJOYNWZIQ-UHFFFAOYSA-N
Canonic Smiles
O=C(CN(c1ccccc1)CC(=O)O)NCCc1ccccc1F
Isomeric Smiles
N(CC(=O)NCCc1c(F)cccc1)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.038061
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1368501
LogD (pH = 7.4)
-0.5270076
Log P
2.609826
Molar Refractivity
88.9587
Polarizability
33.520233
Polar Surface Area
69.64
Rotatable Bonds
8
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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