Molecule

ID:100366

General Information
Structure
Molecular Formula
C₁₀H₁₂FN
Molecular Mass
165.2073832
Exact Mass
165.09537761
Charge
0
InChI
InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
ZDCXMSDSTZZWAX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CCCN1
Isomeric Smiles
N1CCCC1c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.094083
LogD (pH = 7.4)
-0.7059729
Log P
2.139861
Molar Refractivity
46.7336
Polarizability
18.134987
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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