Molecule

ID:65935

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅BF₃NO₂
Molecular Mass
319.1707096
Exact Mass
319.19304411
Charge
0
InChI
InChI=1S/C15H25BF3NO2/c1-13(2)14(3,4)22-16(21-13)8-5-9-20-10-6-12(7-11-20)15(17,18)19/h5,8,12H,6-7,9-11H2,1-4H3/b8-5+
InChIKey
OSHWMNZNCOZQEZ-VMPITWQZSA-N
Canonic Smiles
FC(C1CCN(CC1)C/C=C/B1OC(C(O1)(C)C)(C)C)(F)F
Isomeric Smiles
C(=C\CN1CCC(CC1)C(F)(F)F)/B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.884467
LogD (pH = 7.4)
3.567906
Log P
3.9811
Molar Refractivity
76.4446
Polarizability
30.754946
Polar Surface Area
21.7
Rotatable Bonds
4
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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