Molecule

ID:97128

General Information
Structure
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKey
VWHRYODZTDMVSS-MRVPVSSYSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1cccc(c1)F)N
Isomeric Smiles
N[C@H](Cc1cccc(c1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.8590033
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0421922
LogD (pH = 7.4)
-1.046044
Log P
-1.0422448
Molar Refractivity
45.3327
Polarizability
17.601942
Polar Surface Area
63.32
Rotatable Bonds
3
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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