CID 58803407

C18H11AlFN3O — CID 58803407

IUPAC—
SMILESFc1ccc(-c2nc3cccnc3n2-c2ccccc2)c(O[Al])c1
InChIInChI=1S/C18H12FN3O.Al/c19-12-8-9-14(16(23)11-12)17-21-15-7-4-10-20-18(15)22(17)13-5-2-1-3-6-13;/h1-11,23H;/q;+1/p-1
InChIKeyHCFKMGQLCGDZNO-UHFFFAOYSA-M
MW331.29 g/mol
LogP3.69
Rot. Bonds3

About CID 58803407

CID 58803407 (PubChem CID 58803407) has the molecular formula C18H11AlFN3O and a molecular weight of 331.29 g/mol.

Molecular Properties

Compound NameCID 58803407
PubChem CID58803407
Molecular FormulaC18H11AlFN3O
Molecular Weight331.29 g/mol
Exact Mass331.07
IUPAC Name—
SMILESFc1ccc(-c2nc3cccnc3n2-c2ccccc2)c(O[Al])c1
InChIInChI=1S/C18H12FN3O.Al/c19-12-8-9-14(16(23)11-12)17-21-15-7-4-10-20-18(15)22(17)13-5-2-1-3-6-13;/h1-11,23H;/q;+1/p-1
InChIKeyHCFKMGQLCGDZNO-UHFFFAOYSA-M
XLogP3.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58803407?
The IUPAC name of CID 58803407 (CID 58803407) is not available.
What is the SMILES notation for CID 58803407?
The canonical SMILES for CID 58803407 is Fc1ccc(-c2nc3cccnc3n2-c2ccccc2)c(O[Al])c1.
What is the InChIKey of CID 58803407?
The InChIKey is HCFKMGQLCGDZNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12FN3O.Al/c19-12-8-9-14(16(23)11-12)17-21-15-7-4-10-20-18(15)22(17)13-5-2-1-3-6-13;/h1-11,23H;/q;+1/p-1.
What are the key properties of CID 58803407?
CID 58803407 has a molecular weight of 331.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58803407 is sourced from PubChem (CID 58803407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).