Molecule

ID:39650

General Information
Structure
Molecular Formula
C₁₆H₁₈FN₃
Molecular Mass
271.3326232
Exact Mass
271.14847581
Charge
0
InChI
InChI=1S/C16H18FN3/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,18H2
InChIKey
FQOITVYFRAXELU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)F
Isomeric Smiles
N1(c2ccc(cc2)F)CCN(c2ccc(N)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6026375
LogD (pH = 7.4)
3.120289
Log P
3.1333055
Molar Refractivity
81.952
Polarizability
29.627508
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
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Molecule Details
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References
Bioactivity
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