Molecule

ID:23307

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁FN₂O
Molecular Mass
252.3277432
Exact Mass
252.16379152
Charge
0
InChI
InChI=1S/C14H21FN2O/c1-2-3-4-5-6-7-14(18)17-13-10-11(16)8-9-12(13)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKey
YDVUYRNEZJEGCV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(NC(=O)CCCCCCC)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.908439
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.4428349
LogD (pH = 7.4)
3.4480317
Log P
3.4481113
Molar Refractivity
73.4697
Polarizability
27.055676
Polar Surface Area
55.12
Rotatable Bonds
7
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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