Molecule

ID:11766

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂
Molecular Mass
270.3445632
Exact Mass
270.15322684
Charge
0
InChI
InChI=1S/C17H19FN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2
InChIKey
KKMSCNTZDCYNSC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccccc1)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)C(c1ccc(cc1)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16039334
LogD (pH = 7.4)
1.4844216
Log P
3.3056564
Molar Refractivity
79.8553
Polarizability
31.109423
Polar Surface Area
15.27
Rotatable Bonds
3
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
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References
Bioactivity
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