CID 6381061

C18H14N2O2Pb — CID 6381061

IUPAC—
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.[Pb]
InChIInChI=1S/2C9H7NO.Pb/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;
InChIKeyLZSJPPBOLZJKJV-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.50
Rot. Bonds

About CID 6381061

CID 6381061 (PubChem CID 6381061) has the molecular formula C18H14N2O2Pb and a molecular weight of 497.52 g/mol.

Molecular Properties

Compound NameCID 6381061
PubChem CID6381061
Molecular FormulaC18H14N2O2Pb
Molecular Weight497.52 g/mol
Exact Mass498.08
IUPAC Name—
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.[Pb]
InChIInChI=1S/2C9H7NO.Pb/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;
InChIKeyLZSJPPBOLZJKJV-UHFFFAOYSA-N
XLogP3.50
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 6381061?
The IUPAC name of CID 6381061 (CID 6381061) is not available.
What is the SMILES notation for CID 6381061?
The canonical SMILES for CID 6381061 is Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Pb].
What is the InChIKey of CID 6381061?
The InChIKey is LZSJPPBOLZJKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO.Pb/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;.
What are the key properties of CID 6381061?
CID 6381061 has a molecular weight of 497.52 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6381061 is sourced from PubChem (CID 6381061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).