CID 143131255

C9H7B — CID 143131255

IUPAC—
SMILES[B]C1=Cc2ccccc2C1
InChIInChI=1S/C9H7B/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKeyNUTLDHNPUIHXBQ-UHFFFAOYSA-N
MW125.97 g/mol
LogP1.75
Rot. Bonds

About CID 143131255

CID 143131255 (PubChem CID 143131255) has the molecular formula C9H7B and a molecular weight of 125.97 g/mol.

Molecular Properties

Compound NameCID 143131255
PubChem CID143131255
Molecular FormulaC9H7B
Molecular Weight125.97 g/mol
Exact Mass126.06
IUPAC Name—
SMILES[B]C1=Cc2ccccc2C1
InChIInChI=1S/C9H7B/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKeyNUTLDHNPUIHXBQ-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.97
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143131255?
The IUPAC name of CID 143131255 (CID 143131255) is not available.
What is the SMILES notation for CID 143131255?
The canonical SMILES for CID 143131255 is [B]C1=Cc2ccccc2C1.
What is the InChIKey of CID 143131255?
The InChIKey is NUTLDHNPUIHXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7B/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2.
What are the key properties of CID 143131255?
CID 143131255 has a molecular weight of 125.97 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143131255 is sourced from PubChem (CID 143131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).