CID 58995353

C13H9N — CID 58995353

IUPAC—
SMILES[CH]c1cccc(-c2cccc([CH])n2)c1
InChIInChI=1S/C13H9N/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13/h1-9H
InChIKeyNMEVCBKUMWYSDL-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.87
Rot. Bonds1

About CID 58995353

CID 58995353 (PubChem CID 58995353) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol.

Molecular Properties

Compound NameCID 58995353
PubChem CID58995353
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Name—
SMILES[CH]c1cccc(-c2cccc([CH])n2)c1
InChIInChI=1S/C13H9N/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13/h1-9H
InChIKeyNMEVCBKUMWYSDL-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58995353?
The IUPAC name of CID 58995353 (CID 58995353) is not available.
What is the SMILES notation for CID 58995353?
The canonical SMILES for CID 58995353 is [CH]c1cccc(-c2cccc([CH])n2)c1.
What is the InChIKey of CID 58995353?
The InChIKey is NMEVCBKUMWYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14-13/h1-9H.
What are the key properties of CID 58995353?
CID 58995353 has a molecular weight of 179.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58995353 is sourced from PubChem (CID 58995353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).