Molecule

ID:19484

General Information
Structure
Molecular Formula
C₁₄H₁₄FN
Molecular Mass
215.2660632
Exact Mass
215.11102767
Charge
0
InChI
InChI=1S/C14H14FN/c1-10-3-2-4-11(7-10)12-5-6-14(15)13(8-12)9-16/h2-8H,9,16H2,1H3
InChIKey
UWCAQKMUNIKXNC-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(ccc1F)c1cccc(c1)C
Isomeric Smiles
c1(cc(c2cc(ccc2)C)ccc1F)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.50639004
LogD (pH = 7.4)
1.8423029
Log P
3.4023628
Molar Refractivity
64.9252
Polarizability
26.10854
Polar Surface Area
26.02
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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