CID 173188075

C10H18Cl2NOSiTi — CID 173188075

IUPAC—
SMILESCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyDLWMPLVJNATRHA-UHFFFAOYSA-K
MW315.12 g/mol
LogP-3.19
Rot. Bonds1

About CID 173188075

CID 173188075 (PubChem CID 173188075) has the molecular formula C10H18Cl2NOSiTi and a molecular weight of 315.12 g/mol.

Molecular Properties

Compound NameCID 173188075
PubChem CID173188075
Molecular FormulaC10H18Cl2NOSiTi
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name—
SMILESCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyDLWMPLVJNATRHA-UHFFFAOYSA-K
XLogP-3.19
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 5-3.19
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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Frequently Asked Questions

What is the IUPAC name of CID 173188075?
The IUPAC name of CID 173188075 (CID 173188075) is not available.
What is the SMILES notation for CID 173188075?
The canonical SMILES for CID 173188075 is CCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173188075?
The InChIKey is DLWMPLVJNATRHA-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173188075?
CID 173188075 has a molecular weight of 315.12 g/mol, XLogP of -3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188075 is sourced from PubChem (CID 173188075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).