CID 134903182

C20H22Cl2Ti — CID 134903182

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C(C)[C]2[CH][CH][C]3C=CC=C[C]32)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C20H22.2ClH.Ti/c1-12-13(2)15(4)20(14(12)3)16(5)18-11-10-17-8-6-7-9-19(17)18;;;/h6-11,16H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyMAMGXYVXVGWFBR-UHFFFAOYSA-L
MW381.17 g/mol
LogP6.24
Rot. Bonds2

About CID 134903182

CID 134903182 (PubChem CID 134903182) has the molecular formula C20H22Cl2Ti and a molecular weight of 381.17 g/mol.

Molecular Properties

Compound NameCID 134903182
PubChem CID134903182
Molecular FormulaC20H22Cl2Ti
Molecular Weight381.17 g/mol
Exact Mass380.06
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C(C)[C]2[CH][CH][C]3C=CC=C[C]32)[C]1C.Cl[Ti]Cl
InChIInChI=1S/C20H22.2ClH.Ti/c1-12-13(2)15(4)20(14(12)3)16(5)18-11-10-17-8-6-7-9-19(17)18;;;/h6-11,16H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyMAMGXYVXVGWFBR-UHFFFAOYSA-L
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.17
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 134903182 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134903182?
The IUPAC name of CID 134903182 (CID 134903182) is not available.
What is the SMILES notation for CID 134903182?
The canonical SMILES for CID 134903182 is C[C]1[C](C)[C](C)[C](C(C)[C]2[CH][CH][C]3C=CC=C[C]32)[C]1C.Cl[Ti]Cl.
What is the InChIKey of CID 134903182?
The InChIKey is MAMGXYVXVGWFBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H22.2ClH.Ti/c1-12-13(2)15(4)20(14(12)3)16(5)18-11-10-17-8-6-7-9-19(17)18;;;/h6-11,16H,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134903182?
CID 134903182 has a molecular weight of 381.17 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134903182 is sourced from PubChem (CID 134903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).