Molecule

ID:125816

General Information
Structure
MolImage
Molecular Formula
ClH₄NO₃
Molecular Mass
101.48966
Exact Mass
100.98797067
Charge
0
InChI
InChI=1S/ClHO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3
InChIKey
KHPLPBHMTCTCHA-UHFFFAOYSA-N
Canonic Smiles
O[Cl](=O)=O.N
Isomeric Smiles
O=[Cl](=O)O.N
Calculated Properties
JChem
Acid pKa
-4.672161
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3354366
LogD (pH = 7.4)
-2.3354366
Log P
0.040962167
Molar Refractivity
11.5867
Polarizability
4.759192
Polar Surface Area
54.37
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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