Secondary metabolite:p-CYMENE



Physicochemical properties


Property NameToolProperty value
Chemical formulaRDKitC10H14
Mol.wtRDKit134.222
Exact Mol.MwtRDKit134.11
LogPRDKit3.118
Molar RefractivityRDKit45.268
Topological polar surface areaRDKit0
Number of Hydrogen bond donorsRDKit0
Number of Hydrogen bond acceptorsRDKit0
Number of Chiral CarbonsRDKit0
Number of Carbon atomsRDKit10
Number of SP hybridized Carbon atomsRDKit0
Number of SP2 hybridized Carbon atomsRDKit6
Number of SP2 hybridized Carbon atoms testRDKit6
Number of SP3 hybridized Carbon atomsRDKit4
Shape complexityRDKit0.4
Fraction of SP3 hybridized Carbon atomsRDKit0.4
Fraction of Chiral Carbon atomsRDKit0
Number of Heavy atomRDKit10
Number of Nitrogen atomsRDKit0
Number of Sulphur atomsRDKit0
Number of HeteroatomsRDKit0
Number of Rotatable bondsRDKit1
Number of Aliphatic Carbon cyclesRDKit0
Number of Aliphatic HeterocyclesRDKit0
Number of Aliphatic ringsRDKit0
Number of Aromatic Carbon cyclesRDKit1
Number of Aromatic HeterocyclesRDKit0
Number of Aromatic ringsRDKit1
Total number of ringsRDKit1
Number of Saturated Carbon cyclesRDKit0
Number of Saturated HeterocyclesRDKit0
Number of Saturated ringsRDKit0
Smallest set of smallest rings (SSSR)RDKit1
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