Molecule

ID:29552

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈FNO
Molecular Mass
307.3614232
Exact Mass
307.13724242
Charge
0
InChI
InChI=1S/C20H18FNO/c21-18-11-9-16(10-12-18)14-22-19-7-4-8-20(13-19)23-15-17-5-2-1-3-6-17/h1-13,22H,14-15H2
InChIKey
NWBZKIVHTRIDBE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
N(c1cc(OCc2ccccc2)ccc1)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.876034
LogD (pH = 7.4)
4.8799505
Log P
4.880001
Molar Refractivity
92.1566
Polarizability
34.666916
Polar Surface Area
21.26
Rotatable Bonds
6
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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