CID 153339822

C16H14B — CID 153339822

IUPAC—
SMILESC/C=C\c1cc2c(cc1C)[B]c1ccccc1-2
InChIInChI=1S/C16H14B/c1-3-6-12-10-14-13-7-4-5-8-15(13)17-16(14)9-11(12)2/h3-10H,1-2H3/b6-3-
InChIKeyRAUBIZZCUPUWCQ-UTCJRWHESA-N
MW217.10 g/mol
LogP2.66
Rot. Bonds1

About CID 153339822

CID 153339822 (PubChem CID 153339822) has the molecular formula C16H14B and a molecular weight of 217.10 g/mol.

Molecular Properties

Compound NameCID 153339822
PubChem CID153339822
Molecular FormulaC16H14B
Molecular Weight217.10 g/mol
Exact Mass217.12
IUPAC Name—
SMILESC/C=C\c1cc2c(cc1C)[B]c1ccccc1-2
InChIInChI=1S/C16H14B/c1-3-6-12-10-14-13-7-4-5-8-15(13)17-16(14)9-11(12)2/h3-10H,1-2H3/b6-3-
InChIKeyRAUBIZZCUPUWCQ-UTCJRWHESA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.66
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 153339822?
The IUPAC name of CID 153339822 (CID 153339822) is not available.
What is the SMILES notation for CID 153339822?
The canonical SMILES for CID 153339822 is C/C=C\c1cc2c(cc1C)[B]c1ccccc1-2.
What is the InChIKey of CID 153339822?
The InChIKey is RAUBIZZCUPUWCQ-UTCJRWHESA-N. The full InChI is InChI=1S/C16H14B/c1-3-6-12-10-14-13-7-4-5-8-15(13)17-16(14)9-11(12)2/h3-10H,1-2H3/b6-3-.
What are the key properties of CID 153339822?
CID 153339822 has a molecular weight of 217.10 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153339822 is sourced from PubChem (CID 153339822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).