CID 11085528

C7H11Cl2NTi- — CID 11085528

IUPAC—
SMILESC[N-]C.Cl[Ti]Cl.[CH]1C=CC=C1
InChIInChI=1S/C5H5.C2H6N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-5H;1-2H3;2*1H;/q;-1;;;+2/p-2
InChIKeySSEBXEPFBNEKDU-UHFFFAOYSA-L
MW227.95 g/mol
LogP3.31
Rot. Bonds

About CID 11085528

CID 11085528 (PubChem CID 11085528) has the molecular formula C7H11Cl2NTi- and a molecular weight of 227.95 g/mol.

Molecular Properties

Compound NameCID 11085528
PubChem CID11085528
Molecular FormulaC7H11Cl2NTi-
Molecular Weight227.95 g/mol
Exact Mass226.98
IUPAC Name—
SMILESC[N-]C.Cl[Ti]Cl.[CH]1C=CC=C1
InChIInChI=1S/C5H5.C2H6N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-5H;1-2H3;2*1H;/q;-1;;;+2/p-2
InChIKeySSEBXEPFBNEKDU-UHFFFAOYSA-L
XLogP3.31
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.95
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 11085528?
The IUPAC name of CID 11085528 (CID 11085528) is not available.
What is the SMILES notation for CID 11085528?
The canonical SMILES for CID 11085528 is C[N-]C.Cl[Ti]Cl.[CH]1C=CC=C1.
What is the InChIKey of CID 11085528?
The InChIKey is SSEBXEPFBNEKDU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5.C2H6N.2ClH.Ti/c1-2-4-5-3-1;1-3-2;;;/h1-5H;1-2H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of CID 11085528?
CID 11085528 has a molecular weight of 227.95 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11085528 is sourced from PubChem (CID 11085528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).