CID 173227583

C15H21Cl2HfNSi — CID 173227583

IUPAC—
SMILESCC1=CC[C-]=C1.C[Si]C.Cc1cccc([NH-])c1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C7H8N.C6H7.C2H6Si.2ClH.Hf/c1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-6;1-3-2;;;/h2-5,8H,1H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyOOVFLZRABNQDBN-UHFFFAOYSA-L
MW492.82 g/mol
LogP-0.83
Rot. Bonds

About CID 173227583

CID 173227583 (PubChem CID 173227583) has the molecular formula C15H21Cl2HfNSi and a molecular weight of 492.82 g/mol.

Molecular Properties

Compound NameCID 173227583
PubChem CID173227583
Molecular FormulaC15H21Cl2HfNSi
Molecular Weight492.82 g/mol
Exact Mass493.03
IUPAC Name—
SMILESCC1=CC[C-]=C1.C[Si]C.Cc1cccc([NH-])c1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C7H8N.C6H7.C2H6Si.2ClH.Hf/c1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-6;1-3-2;;;/h2-5,8H,1H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyOOVFLZRABNQDBN-UHFFFAOYSA-L
XLogP-0.83
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.82
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173227583?
The IUPAC name of CID 173227583 (CID 173227583) is not available.
What is the SMILES notation for CID 173227583?
The canonical SMILES for CID 173227583 is CC1=CC[C-]=C1.C[Si]C.Cc1cccc([NH-])c1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173227583?
The InChIKey is OOVFLZRABNQDBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8N.C6H7.C2H6Si.2ClH.Hf/c1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-6;1-3-2;;;/h2-5,8H,1H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173227583?
CID 173227583 has a molecular weight of 492.82 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173227583 is sourced from PubChem (CID 173227583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).