CID 173083214

C17H29Cl2NOSiTi- — CID 173083214

IUPAC—
SMILESCC1=CC(N(C)C)=[C-]C1C.C[SiH]C.Cl.Cl.Oc1ccccc1.[Ti]
InChIInChI=1S/C9H14N.C6H6O.C2H7Si.2ClH.Ti/c1-7-5-9(10(3)4)6-8(7)2;7-6-4-2-1-3-5-6;1-3-2;;;/h5,8H,1-4H3;1-5,7H;3H,1-2H3;2*1H;/q-1;;;;;
InChIKeyQMSGMZPNYOJKFO-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.58
Rot. Bonds1

About CID 173083214

CID 173083214 (PubChem CID 173083214) has the molecular formula C17H29Cl2NOSiTi- and a molecular weight of 410.28 g/mol.

Molecular Properties

Compound NameCID 173083214
PubChem CID173083214
Molecular FormulaC17H29Cl2NOSiTi-
Molecular Weight410.28 g/mol
Exact Mass409.09
IUPAC Name—
SMILESCC1=CC(N(C)C)=[C-]C1C.C[SiH]C.Cl.Cl.Oc1ccccc1.[Ti]
InChIInChI=1S/C9H14N.C6H6O.C2H7Si.2ClH.Ti/c1-7-5-9(10(3)4)6-8(7)2;7-6-4-2-1-3-5-6;1-3-2;;;/h5,8H,1-4H3;1-5,7H;3H,1-2H3;2*1H;/q-1;;;;;
InChIKeyQMSGMZPNYOJKFO-UHFFFAOYSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 173083214 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173083214?
The IUPAC name of CID 173083214 (CID 173083214) is not available.
What is the SMILES notation for CID 173083214?
The canonical SMILES for CID 173083214 is CC1=CC(N(C)C)=[C-]C1C.C[SiH]C.Cl.Cl.Oc1ccccc1.[Ti].
What is the InChIKey of CID 173083214?
The InChIKey is QMSGMZPNYOJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.C6H6O.C2H7Si.2ClH.Ti/c1-7-5-9(10(3)4)6-8(7)2;7-6-4-2-1-3-5-6;1-3-2;;;/h5,8H,1-4H3;1-5,7H;3H,1-2H3;2*1H;/q-1;;;;;.
What are the key properties of CID 173083214?
CID 173083214 has a molecular weight of 410.28 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173083214 is sourced from PubChem (CID 173083214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).