Molecule

ID:98950

General Information
Structure
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKey
WKMPTGFIUPPIGN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNc1cccc(c1)F
Isomeric Smiles
N(c1cccc(c1)F)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.6195726
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.046143323
LogD (pH = 7.4)
-1.7381672
Log P
0.7671231
Molar Refractivity
47.2522
Polarizability
17.24199
Polar Surface Area
49.33
Rotatable Bonds
4
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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