CID 86088537

C14H14In — CID 86088537

IUPAC—
SMILESCc1ccc([In]c2ccc(C)cc2)cc1
InChIInChI=1S/2C7H7.In/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;
InChIKeyOOJCWFIRZOTYDH-UHFFFAOYSA-N
MW297.08 g/mol
LogP1.96
Rot. Bonds2

About CID 86088537

CID 86088537 (PubChem CID 86088537) has the molecular formula C14H14In and a molecular weight of 297.08 g/mol.

Molecular Properties

Compound NameCID 86088537
PubChem CID86088537
Molecular FormulaC14H14In
Molecular Weight297.08 g/mol
Exact Mass297.01
IUPAC Name—
SMILESCc1ccc([In]c2ccc(C)cc2)cc1
InChIInChI=1S/2C7H7.In/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;
InChIKeyOOJCWFIRZOTYDH-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 86088537?
The IUPAC name of CID 86088537 (CID 86088537) is not available.
What is the SMILES notation for CID 86088537?
The canonical SMILES for CID 86088537 is Cc1ccc([In]c2ccc(C)cc2)cc1.
What is the InChIKey of CID 86088537?
The InChIKey is OOJCWFIRZOTYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.In/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;.
What are the key properties of CID 86088537?
CID 86088537 has a molecular weight of 297.08 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86088537 is sourced from PubChem (CID 86088537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).