CID 10389280

C18H26BrCl2NTi+2 — CID 10389280

IUPAC—
SMILESBr.CN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C13H20N.C5H5.BrH.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;;/h2-5,13H,6-11H2,1H3;1-5H;3*1H;/q;;;;;+4/p-2
InChIKeyWMPKWNBJPWHJMF-UHFFFAOYSA-L
MW455.09 g/mol
LogP-1.88
Rot. Bonds3

About CID 10389280

CID 10389280 (PubChem CID 10389280) has the molecular formula C18H26BrCl2NTi+2 and a molecular weight of 455.09 g/mol.

Molecular Properties

Compound NameCID 10389280
PubChem CID10389280
Molecular FormulaC18H26BrCl2NTi+2
Molecular Weight455.09 g/mol
Exact Mass453.01
IUPAC Name—
SMILESBr.CN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C13H20N.C5H5.BrH.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;;/h2-5,13H,6-11H2,1H3;1-5H;3*1H;/q;;;;;+4/p-2
InChIKeyWMPKWNBJPWHJMF-UHFFFAOYSA-L
XLogP-1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.09
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 10389280 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 10389280?
The IUPAC name of CID 10389280 (CID 10389280) is not available.
What is the SMILES notation for CID 10389280?
The canonical SMILES for CID 10389280 is Br.CN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 10389280?
The InChIKey is WMPKWNBJPWHJMF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H20N.C5H5.BrH.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;;/h2-5,13H,6-11H2,1H3;1-5H;3*1H;/q;;;;;+4/p-2.
What are the key properties of CID 10389280?
CID 10389280 has a molecular weight of 455.09 g/mol, XLogP of -1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10389280 is sourced from PubChem (CID 10389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).