Molecule

ID:28848

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FN
Molecular Mass
215.2660632
Exact Mass
215.11102767
Charge
0
InChI
InChI=1S/C14H14FN/c1-11-3-2-4-12(9-11)10-16-14-7-5-13(15)6-8-14/h2-9,16H,10H2,1H3
InChIKey
MDLZPERILFTGCO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1cccc(c1)C
Isomeric Smiles
N(c1ccc(F)cc1)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8130975
LogD (pH = 7.4)
3.8264475
Log P
3.8266203
Molar Refractivity
66.122
Polarizability
24.319294
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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