CID 140508108

C12H10GaNO — CID 140508108

IUPAC—
SMILESCc1cccc(-c2ccccc2O[Ga])n1
InChIInChI=1S/C12H11NO.Ga/c1-9-5-4-7-11(13-9)10-6-2-3-8-12(10)14;/h2-8,14H,1H3;/q;+1/p-1
InChIKeyXQIIISMKQMNJRF-UHFFFAOYSA-M
MW253.94 g/mol
LogP2.52
Rot. Bonds2

About CID 140508108

CID 140508108 (PubChem CID 140508108) has the molecular formula C12H10GaNO and a molecular weight of 253.94 g/mol.

Molecular Properties

Compound NameCID 140508108
PubChem CID140508108
Molecular FormulaC12H10GaNO
Molecular Weight253.94 g/mol
Exact Mass253.00
IUPAC Name—
SMILESCc1cccc(-c2ccccc2O[Ga])n1
InChIInChI=1S/C12H11NO.Ga/c1-9-5-4-7-11(13-9)10-6-2-3-8-12(10)14;/h2-8,14H,1H3;/q;+1/p-1
InChIKeyXQIIISMKQMNJRF-UHFFFAOYSA-M
XLogP2.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.94
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 140508108?
The IUPAC name of CID 140508108 (CID 140508108) is not available.
What is the SMILES notation for CID 140508108?
The canonical SMILES for CID 140508108 is Cc1cccc(-c2ccccc2O[Ga])n1.
What is the InChIKey of CID 140508108?
The InChIKey is XQIIISMKQMNJRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO.Ga/c1-9-5-4-7-11(13-9)10-6-2-3-8-12(10)14;/h2-8,14H,1H3;/q;+1/p-1.
What are the key properties of CID 140508108?
CID 140508108 has a molecular weight of 253.94 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140508108 is sourced from PubChem (CID 140508108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).