Molecule

ID:62368

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅FN₂O
Molecular Mass
304.4023032
Exact Mass
304.19509165
Charge
0
InChI
InChI=1S/C18H25FN2O/c19-16-6-2-1-5-15(16)13-18(22)21-12-4-3-7-17(21)14-8-10-20-11-9-14/h1-2,5-6,14,17,20H,3-4,7-13H2
InChIKey
BRUPQZFSBBKPDM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1C1CCNCC1)Cc1ccccc1F
Isomeric Smiles
N1(C(=O)Cc2c(F)cccc2)C(C2CCNCC2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.81262726
LogD (pH = 7.4)
-0.14431706
Log P
2.4085977
Molar Refractivity
85.9842
Polarizability
33.352177
Polar Surface Area
32.34
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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