Molecule
ID:41554
General Information
Molecular Formula
C₈H₁₀FNO
Molecular Mass
155.1695032
Exact Mass
155.07464217
Charge
0
InChI
InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKey
LPKXWVNNGWDLMT-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)F)O
Isomeric Smiles
c1(ccc(cc1)F)C(O)CN
Calculated Properties
JChem
Acid pKa
14.088569
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.3248286
LogD (pH = 7.4)
-1.1099223
Log P
0.61138123
Molar Refractivity
40.7103
Polarizability
15.817458
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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