CID 89305707

C19H16BNO — CID 89305707

IUPAC—
SMILES[B]c1cn(Cc2ccccc2)cc(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16BNO/c20-18-14-21(12-16-9-5-2-6-10-16)13-17(19(18)22)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2
InChIKeyRVAYCSXJUQBWBA-UHFFFAOYSA-N
MW285.16 g/mol
LogP2.28
Rot. Bonds4

About CID 89305707

CID 89305707 (PubChem CID 89305707) has the molecular formula C19H16BNO and a molecular weight of 285.16 g/mol.

Molecular Properties

Compound NameCID 89305707
PubChem CID89305707
Molecular FormulaC19H16BNO
Molecular Weight285.16 g/mol
Exact Mass285.13
IUPAC Name—
SMILES[B]c1cn(Cc2ccccc2)cc(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16BNO/c20-18-14-21(12-16-9-5-2-6-10-16)13-17(19(18)22)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2
InChIKeyRVAYCSXJUQBWBA-UHFFFAOYSA-N
XLogP2.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 89305707?
The IUPAC name of CID 89305707 (CID 89305707) is not available.
What is the SMILES notation for CID 89305707?
The canonical SMILES for CID 89305707 is [B]c1cn(Cc2ccccc2)cc(Cc2ccccc2)c1=O.
What is the InChIKey of CID 89305707?
The InChIKey is RVAYCSXJUQBWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BNO/c20-18-14-21(12-16-9-5-2-6-10-16)13-17(19(18)22)11-15-7-3-1-4-8-15/h1-10,13-14H,11-12H2.
What are the key properties of CID 89305707?
CID 89305707 has a molecular weight of 285.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89305707 is sourced from PubChem (CID 89305707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).