Molecule

ID:109751

General Information
Structure
Molecular Formula
CH₄B₄Ti
Molecular Mass
107.15346
Exact Mass
108.01646803
Charge
0
InChI
InChI=1S/CB4.Ti/c1-3-5-4-2;/q+1;-1
InChIKey
MZMHXWOVEAQBKN-UHFFFAOYSA-N
Canonic Smiles
[BH]1=[BH][Ti]#C[BH]=[BH]1
Isomeric Smiles
[BH]1=[BH]C#[Ti][BH]=[BH]1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.144
LogD (pH = 7.4)
4.144
Log P
4.144
Molar Refractivity
3.9556
Polarizability
10.506788
Polar Surface Area
0.0
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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