Molecule

ID:135488

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀Hf
Molecular Mass
438.8628
Exact Mass
440.10305064
Charge
0
InChI
InChI=1S/2C9H7.2CH3.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q2*-1;;;+2
InChIKey
LHOMKLPQQPTVMK-UHFFFAOYSA-N
Canonic Smiles
[CH-]1C=c2c(=C1)cccc2.[CH-]1C=c2c(=C1)cccc2.C[Hf+2]C
Isomeric Smiles
C[Hf+2]C.c1cc2=C[CH-]C=c2cc1.c1cc2=C[CH-]C=c2cc1
Calculated Properties
JChem
Acid pKa
18.711124
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2931
LogD (pH = 7.4)
2.2931
Log P
3.2502
Molar Refractivity
38.1652
Polarizability
16.447489
Polar Surface Area
0.0
Rotatable Bonds
0
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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