Molecule

ID:15780

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FNO
Molecular Mass
183.2226632
Exact Mass
183.10594229
Charge
0
InChI
InChI=1S/C10H14FNO/c1-12-7-2-8-13-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKey
MQKGIPJSYFXVES-UHFFFAOYSA-N
Canonic Smiles
CNCCCOc1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)OCCCNC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5696962
LogD (pH = 7.4)
-0.93996596
Log P
1.6538328
Molar Refractivity
50.3274
Polarizability
19.550392
Polar Surface Area
21.26
Rotatable Bonds
5
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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