CID 160923282

C15H10BN3+2 — CID 160923282

IUPAC—
SMILES[B][n+]1c[n+]2c3c4c(cccc4c4ccccc4n31)C2
InChIInChI=1S/C15H10BN3/c16-18-9-17-8-10-4-3-6-12-11-5-1-2-7-13(11)19(18)15(17)14(10)12/h1-7,9H,8H2/q+2
InChIKeyUPYQTKYGAFZMQE-UHFFFAOYSA-N
MW243.08 g/mol
LogP1.11
Rot. Bonds

About CID 160923282

CID 160923282 (PubChem CID 160923282) has the molecular formula C15H10BN3+2 and a molecular weight of 243.08 g/mol.

Molecular Properties

Compound NameCID 160923282
PubChem CID160923282
Molecular FormulaC15H10BN3+2
Molecular Weight243.08 g/mol
Exact Mass243.10
IUPAC Name—
SMILES[B][n+]1c[n+]2c3c4c(cccc4c4ccccc4n31)C2
InChIInChI=1S/C15H10BN3/c16-18-9-17-8-10-4-3-6-12-11-5-1-2-7-13(11)19(18)15(17)14(10)12/h1-7,9H,8H2/q+2
InChIKeyUPYQTKYGAFZMQE-UHFFFAOYSA-N
XLogP1.11
TPSA12.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160923282?
The IUPAC name of CID 160923282 (CID 160923282) is not available.
What is the SMILES notation for CID 160923282?
The canonical SMILES for CID 160923282 is [B][n+]1c[n+]2c3c4c(cccc4c4ccccc4n31)C2.
What is the InChIKey of CID 160923282?
The InChIKey is UPYQTKYGAFZMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BN3/c16-18-9-17-8-10-4-3-6-12-11-5-1-2-7-13(11)19(18)15(17)14(10)12/h1-7,9H,8H2/q+2.
What are the key properties of CID 160923282?
CID 160923282 has a molecular weight of 243.08 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160923282 is sourced from PubChem (CID 160923282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).