Molecule

ID:24848

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FN
Molecular Mass
151.1808032
Exact Mass
151.07972755
Charge
0
InChI
InChI=1S/C9H10FN/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6,11H,1,7H2
InChIKey
UWYIXKXHPQWTPE-UHFFFAOYSA-N
Canonic Smiles
C=CCNc1ccccc1F
Isomeric Smiles
c1(c(F)cccc1)NCC=C
Calculated Properties
JChem
Acid pKa
16.842455
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.318518
LogD (pH = 7.4)
2.3199573
Log P
2.3199756
Molar Refractivity
45.6309
Polarizability
16.400076
Polar Surface Area
12.03
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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