Molecule

ID:51589

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂O₂
Molecular Mass
254.3005632
Exact Mass
254.14305608
Charge
0
InChI
InChI=1S/C13H19FN2O2/c1-13(2,3)12(18)16-11-9(5-4-6-17)7-10(14)8-15-11/h7-8,17H,4-6H2,1-3H3,(H,15,16,18)
InChIKey
MUCBHENIVPFSMX-UHFFFAOYSA-N
Canonic Smiles
OCCCc1cc(F)cnc1NC(=O)C(C)(C)C
Isomeric Smiles
c1(c(ncc(c1)F)NC(=O)C(C)(C)C)CCCO
Calculated Properties
JChem
Acid pKa
12.118375
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.4957588
LogD (pH = 7.4)
2.4958506
Log P
2.4958599
Molar Refractivity
69.1683
Polarizability
25.610733
Polar Surface Area
62.22
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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