CID 14958271

C8H7+ — CID 14958271

IUPAC—
SMILES[C+]12C3C4C1C1C2C3C41
InChIInChI=1S/C8H7/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-7H/q+1
InChIKeyNKDFVYJXVLTFJA-UHFFFAOYSA-N
MW103.14 g/mol
LogP0.94
Rot. Bonds

About CID 14958271

CID 14958271 (PubChem CID 14958271) has the molecular formula C8H7+ and a molecular weight of 103.14 g/mol.

Molecular Properties

Compound NameCID 14958271
PubChem CID14958271
Molecular FormulaC8H7+
Molecular Weight103.14 g/mol
Exact Mass103.05
IUPAC Name—
SMILES[C+]12C3C4C1C1C2C3C41
InChIInChI=1S/C8H7/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-7H/q+1
InChIKeyNKDFVYJXVLTFJA-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14958271?
The IUPAC name of CID 14958271 (CID 14958271) is not available.
What is the SMILES notation for CID 14958271?
The canonical SMILES for CID 14958271 is [C+]12C3C4C1C1C2C3C41.
What is the InChIKey of CID 14958271?
The InChIKey is NKDFVYJXVLTFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-7H/q+1.
What are the key properties of CID 14958271?
CID 14958271 has a molecular weight of 103.14 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14958271 is sourced from PubChem (CID 14958271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).