CID 134981243

C16H15Cl3Ti — CID 134981243

IUPAC—
SMILESCC1=C(C)C(C)=C2C=Cc3ccccc3[C]12.Cl[Ti](Cl)Cl
InChIInChI=1S/C16H15.3ClH.Ti/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3;;;;/h4-9H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyUWJFPKRLOUTKMS-UHFFFAOYSA-K
MW361.52 g/mol
LogP6.37
Rot. Bonds

About CID 134981243

CID 134981243 (PubChem CID 134981243) has the molecular formula C16H15Cl3Ti and a molecular weight of 361.52 g/mol.

Molecular Properties

Compound NameCID 134981243
PubChem CID134981243
Molecular FormulaC16H15Cl3Ti
Molecular Weight361.52 g/mol
Exact Mass359.97
IUPAC Name—
SMILESCC1=C(C)C(C)=C2C=Cc3ccccc3[C]12.Cl[Ti](Cl)Cl
InChIInChI=1S/C16H15.3ClH.Ti/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3;;;;/h4-9H,1-3H3;3*1H;/q;;;;+3/p-3
InChIKeyUWJFPKRLOUTKMS-UHFFFAOYSA-K
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134981243?
The IUPAC name of CID 134981243 (CID 134981243) is not available.
What is the SMILES notation for CID 134981243?
The canonical SMILES for CID 134981243 is CC1=C(C)C(C)=C2C=Cc3ccccc3[C]12.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134981243?
The InChIKey is UWJFPKRLOUTKMS-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H15.3ClH.Ti/c1-10-11(2)14-9-8-13-6-4-5-7-15(13)16(14)12(10)3;;;;/h4-9H,1-3H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134981243?
CID 134981243 has a molecular weight of 361.52 g/mol, XLogP of 6.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981243 is sourced from PubChem (CID 134981243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).