CID 172782986

C20H21Cl2GeZr — CID 172782986

IUPAC—
SMILESCc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[GeH3].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C11H11.C9H7.2ClH.GeH3.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;;;/h3-7H,1-2H3;1-7H;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyLOQLOEYZEYYPAP-UHFFFAOYSA-L
MW496.13 g/mol
LogP-1.44
Rot. Bonds

About CID 172782986

CID 172782986 (PubChem CID 172782986) has the molecular formula C20H21Cl2GeZr and a molecular weight of 496.13 g/mol.

Molecular Properties

Compound NameCID 172782986
PubChem CID172782986
Molecular FormulaC20H21Cl2GeZr
Molecular Weight496.13 g/mol
Exact Mass494.93
IUPAC Name—
SMILESCc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[GeH3].[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C11H11.C9H7.2ClH.GeH3.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;;;/h3-7H,1-2H3;1-7H;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyLOQLOEYZEYYPAP-UHFFFAOYSA-L
XLogP-1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172782986?
The IUPAC name of CID 172782986 (CID 172782986) is not available.
What is the SMILES notation for CID 172782986?
The canonical SMILES for CID 172782986 is Cc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[GeH3].[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 172782986?
The InChIKey is LOQLOEYZEYYPAP-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H11.C9H7.2ClH.GeH3.Zr/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;;;/h3-7H,1-2H3;1-7H;2*1H;1H3;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172782986?
CID 172782986 has a molecular weight of 496.13 g/mol, XLogP of -1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172782986 is sourced from PubChem (CID 172782986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).