Molecule

ID:19979

General Information
Structure
Molecular Formula
C₁₅H₁₆FNO
Molecular Mass
245.2920432
Exact Mass
245.12159236
Charge
0
InChI
InChI=1S/C15H16FNO/c1-10(2)12-5-3-4-6-14(12)18-15-8-7-11(16)9-13(15)17/h3-10H,17H2,1-2H3
InChIKey
SZPNJRARXMRWJX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)Oc1ccccc1C(C)C
Isomeric Smiles
O(c1c(C(C)C)cccc1)c1c(cc(cc1)F)N
Calculated Properties
JChem
Acid pKa
19.12943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.032149
LogD (pH = 7.4)
4.032316
Log P
4.032318
Molar Refractivity
71.4064
Polarizability
26.891369
Polar Surface Area
35.25
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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