CID 144989571

C14H11B — CID 144989571

IUPAC—
SMILES[B]c1c2c(cc3ccccc13)CCC=C2
InChIInChI=1S/C14H11B/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1,3-5,7-9H,2,6H2
InChIKeyFLNTYOJCEFSXLM-UHFFFAOYSA-N
MW190.05 g/mol
LogP2.59
Rot. Bonds

About CID 144989571

CID 144989571 (PubChem CID 144989571) has the molecular formula C14H11B and a molecular weight of 190.05 g/mol.

Molecular Properties

Compound NameCID 144989571
PubChem CID144989571
Molecular FormulaC14H11B
Molecular Weight190.05 g/mol
Exact Mass190.10
IUPAC Name—
SMILES[B]c1c2c(cc3ccccc13)CCC=C2
InChIInChI=1S/C14H11B/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1,3-5,7-9H,2,6H2
InChIKeyFLNTYOJCEFSXLM-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 52.59
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 144989571?
The IUPAC name of CID 144989571 (CID 144989571) is not available.
What is the SMILES notation for CID 144989571?
The canonical SMILES for CID 144989571 is [B]c1c2c(cc3ccccc13)CCC=C2.
What is the InChIKey of CID 144989571?
The InChIKey is FLNTYOJCEFSXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11B/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1,3-5,7-9H,2,6H2.
What are the key properties of CID 144989571?
CID 144989571 has a molecular weight of 190.05 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144989571 is sourced from PubChem (CID 144989571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).