dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide

C14H12Cl2GaN4- — CID 16684389

IUPAC—
SMILESCl[Ga-]Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.2ClH.Ga/c2*1-2-4-7-6(3-1)5-8-9-7;;;/h2*1-5H,(H,8,9);2*1H;/q;;;;+1/p-2
InChIKeyYQSYNXYNKAJPAA-UHFFFAOYSA-L
MW376.91 g/mol
LogP4.12
Rot. Bonds

About dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide

dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide (PubChem CID 16684389) has the molecular formula C14H12Cl2GaN4- and a molecular weight of 376.91 g/mol.

Molecular Properties

Compound Namedichloro-bis(1H-indazol-2-ium-2-yl)gallanuide
PubChem CID16684389
Molecular FormulaC14H12Cl2GaN4-
Molecular Weight376.91 g/mol
Exact Mass374.97
IUPAC Name—
SMILESCl[Ga-]Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/2C7H6N2.2ClH.Ga/c2*1-2-4-7-6(3-1)5-8-9-7;;;/h2*1-5H,(H,8,9);2*1H;/q;;;;+1/p-2
InChIKeyYQSYNXYNKAJPAA-UHFFFAOYSA-L
XLogP4.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide?
The IUPAC name of dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide (CID 16684389) is not available.
What is the SMILES notation for dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide?
The canonical SMILES for dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide is Cl[Ga-]Cl.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide?
The InChIKey is YQSYNXYNKAJPAA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6N2.2ClH.Ga/c2*1-2-4-7-6(3-1)5-8-9-7;;;/h2*1-5H,(H,8,9);2*1H;/q;;;;+1/p-2.
What are the key properties of dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide?
dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide has a molecular weight of 376.91 g/mol, XLogP of 4.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-bis(1H-indazol-2-ium-2-yl)gallanuide is sourced from PubChem (CID 16684389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).