Easily calculate the m.w. and e.m of a molecule
Project description
Explaintions
Mol.Wt and Exact Mass
Mol.Wt
The average mass taking into account the abundance of isotopes in nature.
Exact Mass
The mass of the most stable isotope.
Data Source
Usage
Install
pip install chemax
Import
from chemax import Molecule
Create Molecule Object
from chemax import Molecule
molecule = Molecule.simple_generate('H2O')
print(molecule.mol_wt)
print(molecule.exact_mass)
print(molecule.electric_charge)
Accepted Formula
- Simple Formula:
H2O - Structural Formula:
CH3CH2OH,CH3(CH2)2OH - Hydrogen Isotopes:
D2O,T2O,CDCl3(Chloroform-d) - Ionic Formula:
{COO}-,{CH2(COO)2}2- - Some group abbreviations:
{PhCOO}-,EtOH
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