CID 87710053

C11H9NO3Pb — CID 87710053

IUPAC—
SMILESO=C(O)C(=O)Cc1c[nH]c2ccccc12.[Pb]
InChIInChI=1S/C11H9NO3.Pb/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h1-4,6,12H,5H2,(H,14,15);
InChIKeyMHRJZJWZQVINTQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP0.98
Rot. Bonds3

About CID 87710053

CID 87710053 (PubChem CID 87710053) has the molecular formula C11H9NO3Pb and a molecular weight of 410.40 g/mol.

Molecular Properties

Compound NameCID 87710053
PubChem CID87710053
Molecular FormulaC11H9NO3Pb
Molecular Weight410.40 g/mol
Exact Mass411.03
IUPAC Name—
SMILESO=C(O)C(=O)Cc1c[nH]c2ccccc12.[Pb]
InChIInChI=1S/C11H9NO3.Pb/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h1-4,6,12H,5H2,(H,14,15);
InChIKeyMHRJZJWZQVINTQ-UHFFFAOYSA-N
XLogP0.98
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87710054
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aminothiourea;2-(1H-indol-3-yl)acetic acid
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CID 172797922

Frequently Asked Questions

What is the IUPAC name of CID 87710053?
The IUPAC name of CID 87710053 (CID 87710053) is not available.
What is the SMILES notation for CID 87710053?
The canonical SMILES for CID 87710053 is O=C(O)C(=O)Cc1c[nH]c2ccccc12.[Pb].
What is the InChIKey of CID 87710053?
The InChIKey is MHRJZJWZQVINTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.Pb/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;/h1-4,6,12H,5H2,(H,14,15);.
What are the key properties of CID 87710053?
CID 87710053 has a molecular weight of 410.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87710053 is sourced from PubChem (CID 87710053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).