Molecule

ID:134521

General Information
Structure
MolImage
Molecular Formula
C₄H₁₆ClN₄O₂Re
Molecular Mass
373.85544
Exact Mass
374.05193145
Charge
0
InChI
InChI=1S/2C2H8N2.ClH.2O.Re/c2*3-1-2-4;;;;/h2*1-4H2;1H;;;/q;;;;;+1/p-1
InChIKey
MJPLRWJGVRNXRM-UHFFFAOYSA-M
Canonic Smiles
Cl[Re](=O)=O.NCCN.NCCN
Isomeric Smiles
C(CN)N.C(CN)N.O=[Re](=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.91292
LogD (pH = 7.4)
-3.7797713
Log P
-1.4224427
Molar Refractivity
17.8686
Polarizability
7.4730473
Polar Surface Area
52.04
Rotatable Bonds
2
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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