Molecule

ID:17801

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈FN₃O
Molecular Mass
299.3427232
Exact Mass
299.14339043
Charge
0
InChI
InChI=1S/C17H18FN3O/c18-16-4-2-1-3-15(16)17(22)21-11-9-20(10-12-21)14-7-5-13(19)6-8-14/h1-8H,9-12,19H2
InChIKey
LKAAQQLSMFYKJD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1F
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CC1)C(=O)c1c(cccc1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8296381
LogD (pH = 7.4)
2.3117354
Log P
2.323254
Molar Refractivity
86.3952
Polarizability
31.333965
Polar Surface Area
49.57
Rotatable Bonds
2
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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