Molecule

ID:94883

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FN₃
Molecular Mass
271.3326232
Exact Mass
271.14847581
Charge
0
InChI
InChI=1S/C16H18FN3/c17-15-3-1-2-4-16(15)20-11-9-19(10-12-20)14-7-5-13(18)6-8-14/h1-8H,9-12,18H2
InChIKey
GRGYAGWEEJDSMU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1ccccc1F
Isomeric Smiles
N1(c2ccccc2F)CCN(c2ccc(cc2)N)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6442223
LogD (pH = 7.4)
3.1219523
Log P
3.1333055
Molar Refractivity
81.952
Polarizability
29.62881
Polar Surface Area
32.5
Rotatable Bonds
2
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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