Molecule

ID:93074

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FN
Molecular Mass
165.2073832
Exact Mass
165.09537761
Charge
0
InChI
InChI=1S/C10H12FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
IWOQWISAVOSATC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CNCC1
Isomeric Smiles
N1CCC(c2ccc(cc2)F)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3848908
LogD (pH = 7.4)
-1.2111542
Log P
1.8543978
Molar Refractivity
47.0174
Polarizability
18.060102
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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