CID 134902759

C13H9Cl3Ti — CID 134902759

IUPAC—
SMILESC1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl
InChIInChI=1S/C13H9.3ClH.Ti/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;;/h1-9H;3*1H;/q;;;;+3/p-3
InChIKeyNPTUSNLGNXWDRE-UHFFFAOYSA-K
MW319.44 g/mol
LogP5.20
Rot. Bonds

About CID 134902759

CID 134902759 (PubChem CID 134902759) has the molecular formula C13H9Cl3Ti and a molecular weight of 319.44 g/mol.

Molecular Properties

Compound NameCID 134902759
PubChem CID134902759
Molecular FormulaC13H9Cl3Ti
Molecular Weight319.44 g/mol
Exact Mass317.92
IUPAC Name—
SMILESC1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl
InChIInChI=1S/C13H9.3ClH.Ti/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;;/h1-9H;3*1H;/q;;;;+3/p-3
InChIKeyNPTUSNLGNXWDRE-UHFFFAOYSA-K
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.44
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902759?
The IUPAC name of CID 134902759 (CID 134902759) is not available.
What is the SMILES notation for CID 134902759?
The canonical SMILES for CID 134902759 is C1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134902759?
The InChIKey is NPTUSNLGNXWDRE-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.3ClH.Ti/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;;/h1-9H;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134902759?
CID 134902759 has a molecular weight of 319.44 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902759 is sourced from PubChem (CID 134902759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).