CID 10502788

C7H5 — CID 10502788

IUPAC—
SMILESC#C[C]1C=CC=C1
InChIInChI=1S/C7H5/c1-2-7-5-3-4-6-7/h1,3-6H
InChIKeyXBKQGLGLECLKKO-UHFFFAOYSA-N
MW89.12 g/mol
LogP1.32
Rot. Bonds

About CID 10502788

CID 10502788 (PubChem CID 10502788) has the molecular formula C7H5 and a molecular weight of 89.12 g/mol.

Molecular Properties

Compound NameCID 10502788
PubChem CID10502788
Molecular FormulaC7H5
Molecular Weight89.12 g/mol
Exact Mass89.04
IUPAC Name—
SMILESC#C[C]1C=CC=C1
InChIInChI=1S/C7H5/c1-2-7-5-3-4-6-7/h1,3-6H
InChIKeyXBKQGLGLECLKKO-UHFFFAOYSA-N
XLogP1.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10502788?
The IUPAC name of CID 10502788 (CID 10502788) is not available.
What is the SMILES notation for CID 10502788?
The canonical SMILES for CID 10502788 is C#C[C]1C=CC=C1.
What is the InChIKey of CID 10502788?
The InChIKey is XBKQGLGLECLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5/c1-2-7-5-3-4-6-7/h1,3-6H.
What are the key properties of CID 10502788?
CID 10502788 has a molecular weight of 89.12 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10502788 is sourced from PubChem (CID 10502788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).