Molecule

ID:127981

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄FN₃O₂
Molecular Mass
333.4004632
Exact Mass
333.18525524
Charge
0
InChI
InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChIKey
GRADLHIYNHRBCW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(C)CNC2=O
Isomeric Smiles
O=C1NCN(C)C21CCN(CC2)CCCC(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.921472
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8044218
LogD (pH = 7.4)
-0.070107564
Log P
1.1790137
Molar Refractivity
90.6955
Polarizability
34.954445
Polar Surface Area
52.65
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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