CID 101025091

C6H6 — CID 101025091

IUPAC—
SMILES[CH]C1C=CC=C1
InChIInChI=1S/C6H6/c1-6-4-2-3-5-6/h1-6H
InChIKeyYDSBNOHQBVTGBD-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.44
Rot. Bonds

About CID 101025091

CID 101025091 (PubChem CID 101025091) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol.

Molecular Properties

Compound NameCID 101025091
PubChem CID101025091
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Name—
SMILES[CH]C1C=CC=C1
InChIInChI=1S/C6H6/c1-6-4-2-3-5-6/h1-6H
InChIKeyYDSBNOHQBVTGBD-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 101025091?
The IUPAC name of CID 101025091 (CID 101025091) is not available.
What is the SMILES notation for CID 101025091?
The canonical SMILES for CID 101025091 is [CH]C1C=CC=C1.
What is the InChIKey of CID 101025091?
The InChIKey is YDSBNOHQBVTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-6-4-2-3-5-6/h1-6H.
What are the key properties of CID 101025091?
CID 101025091 has a molecular weight of 78.11 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101025091 is sourced from PubChem (CID 101025091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).