Metabolite Monoaquo DACH platinum

Name
Monoaquo DACH platinum
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 360.72
Monoisotopic: 360.043709
Chemical Formula
C6H14ClN2OPt
InChI Key
KXTZZBHWVMCUAH-SKSSAGQDSA-M
InChI
InChI=1S/C6H12N2.ClH.H2O.Pt/c7-5-3-1-2-4-6(5)8;;;/h5-8H,1-4H2;1H;1H2;/q-2;;;+4/p-1/t5-,6-;;;/m1.../s1
IUPAC Name
[(3aR,7aR)-2-chloro-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]oxidanium
SMILES
[OH2+][Pt]1(Cl)N[C@@H]2CCCC[C@H]2N1
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
logP0.45Chemaxon
pKa (Strongest Acidic)15.41Chemaxon
pKa (Strongest Basic)12.1Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area37.65 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity74.19 m3·mol-1Chemaxon
Polarizability19.41 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon