hydron;toluene

C7H9+ — CID 173046685

IUPAChydron;toluene
SMILESCc1ccccc1.[H+]
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/p+1
InChIKeyYXFVVABEGXRONW-UHFFFAOYSA-O
MW93.15 g/mol
LogP2.11
Rot. Bonds

About hydron;toluene

hydron;toluene (PubChem CID 173046685) has the molecular formula C7H9+ and a molecular weight of 93.15 g/mol. Its IUPAC name is hydron;toluene.

Molecular Properties

Compound Namehydron;toluene
PubChem CID173046685
Molecular FormulaC7H9+
Molecular Weight93.15 g/mol
Exact Mass93.07
IUPAC Namehydron;toluene
SMILESCc1ccccc1.[H+]
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/p+1
InChIKeyYXFVVABEGXRONW-UHFFFAOYSA-O
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of hydron;toluene?
The IUPAC name of hydron;toluene (CID 173046685) is hydron;toluene.
What is the SMILES notation for hydron;toluene?
The canonical SMILES for hydron;toluene is Cc1ccccc1.[H+].
What is the InChIKey of hydron;toluene?
The InChIKey is YXFVVABEGXRONW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/p+1.
What are the key properties of hydron;toluene?
hydron;toluene has a molecular weight of 93.15 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;toluene is sourced from PubChem (CID 173046685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).