hydron;naphthalene-1,4-dione

C10H7O2+ — CID 174880921

IUPAChydron;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.[H+]
InChIInChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H/p+1
InChIKeyFRASJONUBLZVQX-UHFFFAOYSA-O
MW159.16 g/mol
LogP1.73
Rot. Bonds

About hydron;naphthalene-1,4-dione

hydron;naphthalene-1,4-dione (PubChem CID 174880921) has the molecular formula C10H7O2+ and a molecular weight of 159.16 g/mol. Its IUPAC name is hydron;naphthalene-1,4-dione.

Molecular Properties

Compound Namehydron;naphthalene-1,4-dione
PubChem CID174880921
Molecular FormulaC10H7O2+
Molecular Weight159.16 g/mol
Exact Mass159.04
IUPAC Namehydron;naphthalene-1,4-dione
SMILESO=C1C=CC(=O)c2ccccc21.[H+]
InChIInChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H/p+1
InChIKeyFRASJONUBLZVQX-UHFFFAOYSA-O
XLogP1.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze hydron;naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydron;naphthalene-1,4-dione?
The IUPAC name of hydron;naphthalene-1,4-dione (CID 174880921) is hydron;naphthalene-1,4-dione.
What is the SMILES notation for hydron;naphthalene-1,4-dione?
The canonical SMILES for hydron;naphthalene-1,4-dione is O=C1C=CC(=O)c2ccccc21.[H+].
What is the InChIKey of hydron;naphthalene-1,4-dione?
The InChIKey is FRASJONUBLZVQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H/p+1.
What are the key properties of hydron;naphthalene-1,4-dione?
hydron;naphthalene-1,4-dione has a molecular weight of 159.16 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;naphthalene-1,4-dione is sourced from PubChem (CID 174880921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).