You are looking to 3-Nitrotoluene
General Information
Pubchem ID: 7422
IUPAC Name: 1-methyl-3-nitrobenzene
Synonym/s: m-Nitrotoluene, ---
Molecular Formula: C7H7NO2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 137.1400
Number of Atoms: 17
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 38.420
Physico-chemical Properties
Volume (cm³ • mol-1 ): 512.72
Solvent Accessible Surface Area (Ų): 336.18
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 0
Total Charge: 0
pKa: None
AlogP: 2.21
Polar Surface Area (Å): 44.90
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Aniline
Arene
Benzene
Nitro