CID 170793017

C9H8GaN — CID 170793017

IUPAC—
SMILESCc1ccc2[nH]cc([Ga])c2c1
InChIInChI=1S/C9H8N.Ga/c1-7-2-3-9-8(6-7)4-5-10-9;/h2-3,5-6,10H,1H3;
InChIKeyYFPDBNJURXPUHI-UHFFFAOYSA-N
MW199.89 g/mol
LogP1.27
Rot. Bonds

About CID 170793017

CID 170793017 (PubChem CID 170793017) has the molecular formula C9H8GaN and a molecular weight of 199.89 g/mol.

Molecular Properties

Compound NameCID 170793017
PubChem CID170793017
Molecular FormulaC9H8GaN
Molecular Weight199.89 g/mol
Exact Mass198.99
IUPAC Name—
SMILESCc1ccc2[nH]cc([Ga])c2c1
InChIInChI=1S/C9H8N.Ga/c1-7-2-3-9-8(6-7)4-5-10-9;/h2-3,5-6,10H,1H3;
InChIKeyYFPDBNJURXPUHI-UHFFFAOYSA-N
XLogP1.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.89
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 170793017?
The IUPAC name of CID 170793017 (CID 170793017) is not available.
What is the SMILES notation for CID 170793017?
The canonical SMILES for CID 170793017 is Cc1ccc2[nH]cc([Ga])c2c1.
What is the InChIKey of CID 170793017?
The InChIKey is YFPDBNJURXPUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N.Ga/c1-7-2-3-9-8(6-7)4-5-10-9;/h2-3,5-6,10H,1H3;.
What are the key properties of CID 170793017?
CID 170793017 has a molecular weight of 199.89 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170793017 is sourced from PubChem (CID 170793017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).