CID 174063140

C15H11B5 — CID 174063140

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2ccccc2C(C)C)c([B])c1[B]
InChIInChI=1S/C15H11B5/c1-7(2)8-5-3-4-6-9(8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3
InChIKeyAXDWRLMEYPRRGO-UHFFFAOYSA-N
MW245.31 g/mol
LogP-1.55
Rot. Bonds2

About CID 174063140

CID 174063140 (PubChem CID 174063140) has the molecular formula C15H11B5 and a molecular weight of 245.31 g/mol.

Molecular Properties

Compound NameCID 174063140
PubChem CID174063140
Molecular FormulaC15H11B5
Molecular Weight245.31 g/mol
Exact Mass246.13
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2ccccc2C(C)C)c([B])c1[B]
InChIInChI=1S/C15H11B5/c1-7(2)8-5-3-4-6-9(8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3
InChIKeyAXDWRLMEYPRRGO-UHFFFAOYSA-N
XLogP-1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-1.55
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 174063140?
The IUPAC name of CID 174063140 (CID 174063140) is not available.
What is the SMILES notation for CID 174063140?
The canonical SMILES for CID 174063140 is [B]c1c([B])c([B])c(-c2ccccc2C(C)C)c([B])c1[B].
What is the InChIKey of CID 174063140?
The InChIKey is AXDWRLMEYPRRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11B5/c1-7(2)8-5-3-4-6-9(8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7H,1-2H3.
What are the key properties of CID 174063140?
CID 174063140 has a molecular weight of 245.31 g/mol, XLogP of -1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174063140 is sourced from PubChem (CID 174063140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).