Molecule

ID:52640

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FN
Molecular Mass
165.2073832
Exact Mass
165.09537761
Charge
0
InChI
InChI=1S/C10H12FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
InChIKey
NOJCVVKIBLHAGW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C1CCCN1
Isomeric Smiles
N1C(CCC1)c1c(cccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0706236
LogD (pH = 7.4)
-0.2593957
Log P
2.139861
Molar Refractivity
46.7336
Polarizability
18.134829
Polar Surface Area
12.03
Rotatable Bonds
1
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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