Molecule

ID:98637

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀FN
Molecular Mass
257.3458032
Exact Mass
257.15797787
Charge
0
InChI
InChI=1S/C17H20FN/c1-17(2,12-14-8-10-16(18)11-9-14)19-13-15-6-4-3-5-7-15/h3-11,19H,12-13H2,1-2H3
InChIKey
XMSVIQAYDXJYIX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CC(NCc1ccccc1)(C)C
Isomeric Smiles
N(C(Cc1ccc(cc1)F)(C)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1651566
LogD (pH = 7.4)
1.8612272
Log P
4.3845825
Molar Refractivity
77.947
Polarizability
30.249023
Polar Surface Area
12.03
Rotatable Bonds
5
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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