Molecule

ID:128586

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅FN₄O
Molecular Mass
356.4371032
Exact Mass
356.20123966
Charge
0
InChI
InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)
InChIKey
RSKQGBFMNPDPLR-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1cccnc1)CCN1CCN(CC1)c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(N2CCN(CCC(NC(=O)c3cccnc3)C)CC2)cc1
Calculated Properties
JChem
Acid pKa
13.951964
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.17015022
LogD (pH = 7.4)
1.5845814
Log P
2.2060108
Molar Refractivity
101.9445
Polarizability
38.18442
Polar Surface Area
48.47
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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