Molecule

ID:18067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO
Molecular Mass
203.2123032
Exact Mass
203.07464217
Charge
0
InChI
InChI=1S/C12H10FNO/c1-2-5-14-7-9(8-15)11-4-3-10(13)6-12(11)14/h2-4,6-8H,1,5H2
InChIKey
AMPNCCBPCSVJER-UHFFFAOYSA-N
Canonic Smiles
C=CCn1cc(c2c1cc(F)cc2)C=O
Isomeric Smiles
n1(c2c(c(c1)C=O)ccc(c2)F)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.882138
LogD (pH = 7.4)
2.882138
Log P
2.882138
Molar Refractivity
58.0043
Polarizability
22.362864
Polar Surface Area
22.0
Rotatable Bonds
3
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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