CID 10089957

C17H24Cl2NTi+3 — CID 10089957

IUPAC—
SMILESCl.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](CCN2CCCCC2)[CH]1.[Cl-].[Ti+4]
InChIInChI=1S/C12H18N.C5H5.2ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;/h2-3,6-7H,1,4-5,8-11H2;1-5H;2*1H;/q;;;;+4/p-1
InChIKeyKKHBGZHTJXMZQZ-UHFFFAOYSA-M
MW361.16 g/mol
LogP0.71
Rot. Bonds3

About CID 10089957

CID 10089957 (PubChem CID 10089957) has the molecular formula C17H24Cl2NTi+3 and a molecular weight of 361.16 g/mol.

Molecular Properties

Compound NameCID 10089957
PubChem CID10089957
Molecular FormulaC17H24Cl2NTi+3
Molecular Weight361.16 g/mol
Exact Mass360.07
IUPAC Name—
SMILESCl.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](CCN2CCCCC2)[CH]1.[Cl-].[Ti+4]
InChIInChI=1S/C12H18N.C5H5.2ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;/h2-3,6-7H,1,4-5,8-11H2;1-5H;2*1H;/q;;;;+4/p-1
InChIKeyKKHBGZHTJXMZQZ-UHFFFAOYSA-M
XLogP0.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 10089957?
The IUPAC name of CID 10089957 (CID 10089957) is not available.
What is the SMILES notation for CID 10089957?
The canonical SMILES for CID 10089957 is Cl.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](CCN2CCCCC2)[CH]1.[Cl-].[Ti+4].
What is the InChIKey of CID 10089957?
The InChIKey is KKHBGZHTJXMZQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18N.C5H5.2ClH.Ti/c1-4-9-13(10-5-1)11-8-12-6-2-3-7-12;1-2-4-5-3-1;;;/h2-3,6-7H,1,4-5,8-11H2;1-5H;2*1H;/q;;;;+4/p-1.
What are the key properties of CID 10089957?
CID 10089957 has a molecular weight of 361.16 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10089957 is sourced from PubChem (CID 10089957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).