Molecule

ID:17851

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₂
Molecular Mass
247.2648632
Exact Mass
247.10085691
Charge
0
InChI
InChI=1S/C14H14FNO2/c15-9-5-6-13-11(7-9)10-3-1-2-4-12(10)16(13)8-14(17)18/h5-7H,1-4,8H2,(H,17,18)
InChIKey
ZKLIJPUNXYUOET-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c2ccc(cc2c2c1CCCC2)F
Isomeric Smiles
c12c3c(n(c1ccc(c2)F)CC(=O)O)CCCC3
Calculated Properties
JChem
Acid pKa
4.216951
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8300606
LogD (pH = 7.4)
0.11086551
Log P
3.132717
Molar Refractivity
65.8559
Polarizability
25.85699
Polar Surface Area
42.23
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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