Molecule

ID:47729

General Information
Structure
Molecular Formula
C₁₄H₂₁FN₂
Molecular Mass
236.3283432
Exact Mass
236.1688769
Charge
0
InChI
InChI=1S/C14H21FN2/c1-2-17(12-6-4-3-5-7-12)14-9-8-11(15)10-13(14)16/h8-10,12H,2-7,16H2,1H3
InChIKey
JABDYRBSDOBBKN-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)F)C1CCCCC1
Isomeric Smiles
c1(N(C2CCCCC2)CC)c(cc(cc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.409065
LogD (pH = 7.4)
3.5490327
Log P
3.5511441
Molar Refractivity
71.1662
Polarizability
26.26025
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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