CID 59638689

C16H10 — CID 59638689

IUPAC—
SMILES[CH]c1c([CH])c2ccccc2c2ccccc12
InChIInChI=1S/C16H10/c1-11-12(2)14-8-4-6-10-16(14)15-9-5-3-7-13(11)15/h1-10H
InChIKeyXBYSHHNQHRCGNL-UHFFFAOYSA-N
MW202.26 g/mol
LogP4.11
Rot. Bonds

About CID 59638689

CID 59638689 (PubChem CID 59638689) has the molecular formula C16H10 and a molecular weight of 202.26 g/mol.

Molecular Properties

Compound NameCID 59638689
PubChem CID59638689
Molecular FormulaC16H10
Molecular Weight202.26 g/mol
Exact Mass202.08
IUPAC Name—
SMILES[CH]c1c([CH])c2ccccc2c2ccccc12
InChIInChI=1S/C16H10/c1-11-12(2)14-8-4-6-10-16(14)15-9-5-3-7-13(11)15/h1-10H
InChIKeyXBYSHHNQHRCGNL-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59638689?
The IUPAC name of CID 59638689 (CID 59638689) is not available.
What is the SMILES notation for CID 59638689?
The canonical SMILES for CID 59638689 is [CH]c1c([CH])c2ccccc2c2ccccc12.
What is the InChIKey of CID 59638689?
The InChIKey is XBYSHHNQHRCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10/c1-11-12(2)14-8-4-6-10-16(14)15-9-5-3-7-13(11)15/h1-10H.
What are the key properties of CID 59638689?
CID 59638689 has a molecular weight of 202.26 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59638689 is sourced from PubChem (CID 59638689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).