Molecule

ID:58029

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO
Molecular Mass
235.2972232
Exact Mass
235.13724242
Charge
0
InChI
InChI=1S/C14H18FNO/c1-10-4-3-7-16(9-10)14-6-5-12(11(2)17)8-13(14)15/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKey
XCRXOYDQRBYDEP-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(cc1F)C(=O)C
Isomeric Smiles
N1(c2c(cc(C(=O)C)cc2)F)CC(CCC1)C
Calculated Properties
JChem
Acid pKa
16.338186
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.996975
LogD (pH = 7.4)
2.996978
Log P
2.996978
Molar Refractivity
67.7194
Polarizability
25.17753
Polar Surface Area
20.31
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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