CID 11680441

C14H17BCo — CID 11680441

IUPAC—
SMILES[B]c1ccccc1.[CH]1[CH]CC[CH][CH]CC1.[Co]
InChIInChI=1S/C8H12.C6H5B.Co/c1-2-4-6-8-7-5-3-1;7-6-4-2-1-3-5-6;/h1-2,7-8H,3-6H2;1-5H;
InChIKeyUKWDKWAVDUWKEY-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.86
Rot. Bonds

About CID 11680441

CID 11680441 (PubChem CID 11680441) has the molecular formula C14H17BCo and a molecular weight of 255.04 g/mol.

Molecular Properties

Compound NameCID 11680441
PubChem CID11680441
Molecular FormulaC14H17BCo
Molecular Weight255.04 g/mol
Exact Mass255.08
IUPAC Name—
SMILES[B]c1ccccc1.[CH]1[CH]CC[CH][CH]CC1.[Co]
InChIInChI=1S/C8H12.C6H5B.Co/c1-2-4-6-8-7-5-3-1;7-6-4-2-1-3-5-6;/h1-2,7-8H,3-6H2;1-5H;
InChIKeyUKWDKWAVDUWKEY-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.86
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 11680441?
The IUPAC name of CID 11680441 (CID 11680441) is not available.
What is the SMILES notation for CID 11680441?
The canonical SMILES for CID 11680441 is [B]c1ccccc1.[CH]1[CH]CC[CH][CH]CC1.[Co].
What is the InChIKey of CID 11680441?
The InChIKey is UKWDKWAVDUWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C6H5B.Co/c1-2-4-6-8-7-5-3-1;7-6-4-2-1-3-5-6;/h1-2,7-8H,3-6H2;1-5H;.
What are the key properties of CID 11680441?
CID 11680441 has a molecular weight of 255.04 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11680441 is sourced from PubChem (CID 11680441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).