bis(oxygen(2-));titanium(4+);urea

CH4N2O3Ti — CID 160875609

IUPACbis(oxygen(2-));titanium(4+);urea
SMILESNC(N)=O.[O-2].[O-2].[Ti+4]
InChIInChI=1S/CH4N2O.2O.Ti/c2-1(3)4;;;/h(H4,2,3,4);;;/q;2*-2;+4
InChIKeySMISQOLGTCDORB-UHFFFAOYSA-N
MW139.92 g/mol
LogP-1.22
Rot. Bonds

About bis(oxygen(2-));titanium(4+);urea

bis(oxygen(2-));titanium(4+);urea (PubChem CID 160875609) has the molecular formula CH4N2O3Ti and a molecular weight of 139.92 g/mol. Its IUPAC name is bis(oxygen(2-));titanium(4+);urea.

Molecular Properties

Compound Namebis(oxygen(2-));titanium(4+);urea
PubChem CID160875609
Molecular FormulaCH4N2O3Ti
Molecular Weight139.92 g/mol
Exact Mass139.97
IUPAC Namebis(oxygen(2-));titanium(4+);urea
SMILESNC(N)=O.[O-2].[O-2].[Ti+4]
InChIInChI=1S/CH4N2O.2O.Ti/c2-1(3)4;;;/h(H4,2,3,4);;;/q;2*-2;+4
InChIKeySMISQOLGTCDORB-UHFFFAOYSA-N
XLogP-1.22
TPSA126.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.92
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87675783
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ruthenium;urea
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lithium urea
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Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));titanium(4+);urea?
The IUPAC name of bis(oxygen(2-));titanium(4+);urea (CID 160875609) is bis(oxygen(2-));titanium(4+);urea.
What is the SMILES notation for bis(oxygen(2-));titanium(4+);urea?
The canonical SMILES for bis(oxygen(2-));titanium(4+);urea is NC(N)=O.[O-2].[O-2].[Ti+4].
What is the InChIKey of bis(oxygen(2-));titanium(4+);urea?
The InChIKey is SMISQOLGTCDORB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.2O.Ti/c2-1(3)4;;;/h(H4,2,3,4);;;/q;2*-2;+4.
What are the key properties of bis(oxygen(2-));titanium(4+);urea?
bis(oxygen(2-));titanium(4+);urea has a molecular weight of 139.92 g/mol, XLogP of -1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));titanium(4+);urea is sourced from PubChem (CID 160875609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).