CID 173188127

C19H24Cl2NOSiZr — CID 173188127

IUPAC—
SMILESCCCC([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C4H9NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4(5)6;1-3-2;;;/h1-5,7-8H,9H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUQECUJXHXOKOOG-UHFFFAOYSA-K
MW472.62 g/mol
LogP6.32
Rot. Bonds2

About CID 173188127

CID 173188127 (PubChem CID 173188127) has the molecular formula C19H24Cl2NOSiZr and a molecular weight of 472.62 g/mol.

Molecular Properties

Compound NameCID 173188127
PubChem CID173188127
Molecular FormulaC19H24Cl2NOSiZr
Molecular Weight472.62 g/mol
Exact Mass470.01
IUPAC Name—
SMILESCCCC([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C4H9NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4(5)6;1-3-2;;;/h1-5,7-8H,9H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUQECUJXHXOKOOG-UHFFFAOYSA-K
XLogP6.32
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 173188085
CID 173188085
CID 173187653
CID 173187653
CID 173188188
CID 173188188
CID 173188455
CID 173188455
CID 154493054
CID 154493054
CID 173187991
CID 173187991
CID 173188343
CID 173188343
CID 173188170
CID 173188170
CID 173364326
CID 173364326
CID 173221999
CID 173221999
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863

Frequently Asked Questions

What is the IUPAC name of CID 173188127?
The IUPAC name of CID 173188127 (CID 173188127) is not available.
What is the SMILES notation for CID 173188127?
The canonical SMILES for CID 173188127 is CCCC([NH-])=O.C[SiH]C.Cl[Zr+2]Cl.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173188127?
The InChIKey is UQECUJXHXOKOOG-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.C4H9NO.C2H7Si.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-4(5)6;1-3-2;;;/h1-5,7-8H,9H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173188127?
CID 173188127 has a molecular weight of 472.62 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188127 is sourced from PubChem (CID 173188127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).