Molecule

ID:100134

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FN
Molecular Mass
241.3033432
Exact Mass
241.12667774
Charge
0
InChI
InChI=1S/C16H16FN/c17-16-12-18(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16/h1-9,16H,10-12H2
InChIKey
VWVIVWYOXWQYAM-UHFFFAOYSA-N
Canonic Smiles
FC1CN(Cc2ccccc2)Cc2c1cccc2
Isomeric Smiles
N1(Cc2ccccc2)CC(c2c(cccc2)C1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9678638
LogD (pH = 7.4)
3.446072
Log P
3.6511
Molar Refractivity
72.0383
Polarizability
27.76585
Polar Surface Area
3.24
Rotatable Bonds
2
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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