Molecule

ID:20419

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FNO
Molecular Mass
183.2226632
Exact Mass
183.10594229
Charge
0
InChI
InChI=1S/C10H14FNO/c1-2-3-6-13-10-5-4-8(12)7-9(10)11/h4-5,7H,2-3,6,12H2,1H3
InChIKey
SVSPYOUPPXEKHB-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1F)N
Isomeric Smiles
c1(cc(N)ccc1OCCCC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4352908
LogD (pH = 7.4)
2.4530187
Log P
2.4532495
Molar Refractivity
51.3116
Polarizability
19.172323
Polar Surface Area
35.25
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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