Molecule

ID:126193

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂F₂N₄O
Molecular Mass
348.3902864
Exact Mass
348.17616778
Charge
0
InChI
InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
InChIKey
ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(cn1)F)O
Isomeric Smiles
c1cc(F)ccc1C(O)CCCN1CCN(CC1)c1ncc(F)cn1
Calculated Properties
JChem
Acid pKa
14.44242
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7168304
LogD (pH = 7.4)
2.32433
Log P
2.6405494
Molar Refractivity
93.6649
Polarizability
34.790142
Polar Surface Area
52.49
Rotatable Bonds
6
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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