Molecule

ID:15823

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈FN₃
Molecular Mass
293.4227232
Exact Mass
293.22672613
Charge
0
InChI
InChI=1S/C17H28FN3/c1-20(2)11-9-19-12-15-6-5-10-21(13-15)14-16-7-3-4-8-17(16)18/h3-4,7-8,15,19H,5-6,9-14H2,1-2H3
InChIKey
UKEDTINNWQDFFR-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCC1CCCN(C1)Cc1ccccc1F)C
Isomeric Smiles
C1C(CN(CC1)Cc1ccccc1F)CNCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6018264
LogD (pH = 7.4)
-0.6353535
Log P
2.2219048
Molar Refractivity
87.7118
Polarizability
34.08896
Polar Surface Area
18.51
Rotatable Bonds
7
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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