Molecule

ID:23284

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁FN₂O₂
Molecular Mass
316.3699432
Exact Mass
316.15870614
Charge
0
InChI
InChI=1S/C18H21FN2O2/c1-2-3-4-11-23-15-8-5-13(6-9-15)18(22)21-17-12-14(20)7-10-16(17)19/h5-10,12H,2-4,11,20H2,1H3,(H,21,22)
InChIKey
KPKLSYFIVMTCST-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)OCCCCC
Calculated Properties
JChem
Acid pKa
10.923315
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.986202
LogD (pH = 7.4)
3.989534
Log P
3.989703
Molar Refractivity
91.4461
Polarizability
33.616707
Polar Surface Area
64.35
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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