CID 174887707

C17H13AlNO — CID 174887707

IUPAC—
SMILESOc1ccc(C=Cc2ccccc2)c2cccnc12.[Al]
InChIInChI=1S/C17H13NO.Al/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;/h1-12,19H;
InChIKeyXRVXJUPEOUJTQJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.73
Rot. Bonds2

About CID 174887707

CID 174887707 (PubChem CID 174887707) has the molecular formula C17H13AlNO and a molecular weight of 274.28 g/mol.

Molecular Properties

Compound NameCID 174887707
PubChem CID174887707
Molecular FormulaC17H13AlNO
Molecular Weight274.28 g/mol
Exact Mass274.08
IUPAC Name—
SMILESOc1ccc(C=Cc2ccccc2)c2cccnc12.[Al]
InChIInChI=1S/C17H13NO.Al/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;/h1-12,19H;
InChIKeyXRVXJUPEOUJTQJ-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174887707?
The IUPAC name of CID 174887707 (CID 174887707) is not available.
What is the SMILES notation for CID 174887707?
The canonical SMILES for CID 174887707 is Oc1ccc(C=Cc2ccccc2)c2cccnc12.[Al].
What is the InChIKey of CID 174887707?
The InChIKey is XRVXJUPEOUJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO.Al/c19-16-11-10-14(15-7-4-12-18-17(15)16)9-8-13-5-2-1-3-6-13;/h1-12,19H;.
What are the key properties of CID 174887707?
CID 174887707 has a molecular weight of 274.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174887707 is sourced from PubChem (CID 174887707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).