NameWater
HMDB IDNot Available
DescriptionNot Available
Structure
Thumb
CAS numberNot Available
WeightAverage: 18.0153
Monoisotopic: 18.010564686
Chemical FormulaH2O
InChI KeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
InChI
InChI=1S/H2O/h1H2
IUPAC Name
water
SMILES
O
Reactions
SubstrateEnzymesProduct
Acetate
Not Available
WaterDetails
Predicted Properties
PropertyValueSource
logP-0.65ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area25.3 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity3.7 m3·mol-1ChemAxon
Polarizability1.51 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon