Molecule

ID:12092

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₁₅N₂
Molecular Mass
412.098868
Exact Mass
412.00567141
Charge
0
InChI
InChI=1S/C8H3F15N2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H3,24,25)
InChIKey
VHJKOLAKAFYZMC-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(=N)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.375435
LogD (pH = 7.4)
4.375721
Log P
4.375725
Molar Refractivity
56.0782
Polarizability
17.586815
Polar Surface Area
49.87
Rotatable Bonds
7
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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