Molecule

ID:99865

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FNO
Molecular Mass
155.1695032
Exact Mass
155.07464217
Charge
0
InChI
InChI=1S/C8H10FNO/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,10H,1-2H3
InChIKey
XFBVWHXMTJVYSQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1NC
Isomeric Smiles
Fc1cc(c(cc1)NC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2792696
LogD (pH = 7.4)
1.4287707
Log P
1.4310546
Molar Refractivity
42.9314
Polarizability
15.50728
Polar Surface Area
21.26
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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