CID 134902761

C14H11Cl3Ti — CID 134902761

IUPAC—
SMILESCC1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl
InChIInChI=1S/C14H11.3ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;;/h2-9H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyDJJAVZSWVSLLNH-UHFFFAOYSA-K
MW333.47 g/mol
LogP5.59
Rot. Bonds

About CID 134902761

CID 134902761 (PubChem CID 134902761) has the molecular formula C14H11Cl3Ti and a molecular weight of 333.47 g/mol.

Molecular Properties

Compound NameCID 134902761
PubChem CID134902761
Molecular FormulaC14H11Cl3Ti
Molecular Weight333.47 g/mol
Exact Mass331.94
IUPAC Name—
SMILESCC1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl
InChIInChI=1S/C14H11.3ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;;/h2-9H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyDJJAVZSWVSLLNH-UHFFFAOYSA-K
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902761?
The IUPAC name of CID 134902761 (CID 134902761) is not available.
What is the SMILES notation for CID 134902761?
The canonical SMILES for CID 134902761 is CC1=C[C]2C(=C1)C=Cc1ccccc12.Cl[Ti](Cl)Cl.
What is the InChIKey of CID 134902761?
The InChIKey is DJJAVZSWVSLLNH-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H11.3ClH.Ti/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10;;;;/h2-9H,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of CID 134902761?
CID 134902761 has a molecular weight of 333.47 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902761 is sourced from PubChem (CID 134902761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).