CID 123628818

C15H14BN — CID 123628818

IUPAC—
SMILES[B]c1cccc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14BN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeySZGZFVJYEAYLKI-UHFFFAOYSA-N
MW219.10 g/mol
LogP2.00
Rot. Bonds2

About CID 123628818

CID 123628818 (PubChem CID 123628818) has the molecular formula C15H14BN and a molecular weight of 219.10 g/mol.

Molecular Properties

Compound NameCID 123628818
PubChem CID123628818
Molecular FormulaC15H14BN
Molecular Weight219.10 g/mol
Exact Mass219.12
IUPAC Name—
SMILES[B]c1cccc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14BN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeySZGZFVJYEAYLKI-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 123628818?
The IUPAC name of CID 123628818 (CID 123628818) is not available.
What is the SMILES notation for CID 123628818?
The canonical SMILES for CID 123628818 is [B]c1cccc2c1CN(Cc1ccccc1)C2.
What is the InChIKey of CID 123628818?
The InChIKey is SZGZFVJYEAYLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of CID 123628818?
CID 123628818 has a molecular weight of 219.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123628818 is sourced from PubChem (CID 123628818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).