CID 173188455

C17H20Cl2NOSiTi-2 — CID 173188455

IUPAC—
SMILESCC([NH-])=O.C[SiH]C.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C2H5NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;1-3-2;;;/h1-5,7-8H,9H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3
InChIKeyDDPZLVAZQBMHMY-UHFFFAOYSA-K
MW401.21 g/mol
LogP5.54
Rot. Bonds

About CID 173188455

CID 173188455 (PubChem CID 173188455) has the molecular formula C17H20Cl2NOSiTi-2 and a molecular weight of 401.21 g/mol.

Molecular Properties

Compound NameCID 173188455
PubChem CID173188455
Molecular FormulaC17H20Cl2NOSiTi-2
Molecular Weight401.21 g/mol
Exact Mass400.02
IUPAC Name—
SMILESCC([NH-])=O.C[SiH]C.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C2H5NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;1-3-2;;;/h1-5,7-8H,9H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3
InChIKeyDDPZLVAZQBMHMY-UHFFFAOYSA-K
XLogP5.54
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.21
LogP ≤ 55.54
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 173188455?
The IUPAC name of CID 173188455 (CID 173188455) is not available.
What is the SMILES notation for CID 173188455?
The canonical SMILES for CID 173188455 is CC([NH-])=O.C[SiH]C.Cl[Ti]Cl.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173188455?
The InChIKey is DDPZLVAZQBMHMY-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.C2H5NO.C2H7Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2(3)4;1-3-2;;;/h1-5,7-8H,9H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+2/p-3.
What are the key properties of CID 173188455?
CID 173188455 has a molecular weight of 401.21 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188455 is sourced from PubChem (CID 173188455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).