Molecule

ID:29861

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FNO
Molecular Mass
183.2226632
Exact Mass
183.10594229
Charge
0
InChI
InChI=1S/C10H14FNO/c1-10(2,3)13-9-5-4-7(12)6-8(9)11/h4-6H,12H2,1-3H3
InChIKey
AIQNVLMXQIDZMI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OC(C)(C)C
Isomeric Smiles
c1c(c(ccc1N)OC(C)(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1662858
LogD (pH = 7.4)
2.1830916
Log P
2.1833103
Molar Refractivity
51.2436
Polarizability
19.172022
Polar Surface Area
35.25
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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