CID 134902191

C11H10Cl3OTi — CID 134902191

IUPAC—
SMILESCl[Ti]Cl.Oc1ccccc1Cl.[CH]1C=CC=C1
InChIInChI=1S/C6H5ClO.C5H5.2ClH.Ti/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1;;;/h1-4,8H;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyWFPQQPYBKRQWCG-UHFFFAOYSA-L
MW312.43 g/mol
LogP4.74
Rot. Bonds

About CID 134902191

CID 134902191 (PubChem CID 134902191) has the molecular formula C11H10Cl3OTi and a molecular weight of 312.43 g/mol.

Molecular Properties

Compound NameCID 134902191
PubChem CID134902191
Molecular FormulaC11H10Cl3OTi
Molecular Weight312.43 g/mol
Exact Mass310.93
IUPAC Name—
SMILESCl[Ti]Cl.Oc1ccccc1Cl.[CH]1C=CC=C1
InChIInChI=1S/C6H5ClO.C5H5.2ClH.Ti/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1;;;/h1-4,8H;1-5H;2*1H;/q;;;;+2/p-2
InChIKeyWFPQQPYBKRQWCG-UHFFFAOYSA-L
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 134902191?
The IUPAC name of CID 134902191 (CID 134902191) is not available.
What is the SMILES notation for CID 134902191?
The canonical SMILES for CID 134902191 is Cl[Ti]Cl.Oc1ccccc1Cl.[CH]1C=CC=C1.
What is the InChIKey of CID 134902191?
The InChIKey is WFPQQPYBKRQWCG-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5ClO.C5H5.2ClH.Ti/c7-5-3-1-2-4-6(5)8;1-2-4-5-3-1;;;/h1-4,8H;1-5H;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 134902191?
CID 134902191 has a molecular weight of 312.43 g/mol, XLogP of 4.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902191 is sourced from PubChem (CID 134902191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).