urea;hydrate;hydrobromide

CH7BrN2O2 — CID 160976680

IUPACurea;hydrate;hydrobromide
SMILESBr.NC(N)=O.O
InChIInChI=1S/CH4N2O.BrH.H2O/c2-1(3)4;;/h(H4,2,3,4);1H;1H2
InChIKeyWZRAHCYWYFZFBB-UHFFFAOYSA-N
MW158.98 g/mol
LogP-1.22
Rot. Bonds

About urea;hydrate;hydrobromide

urea;hydrate;hydrobromide (PubChem CID 160976680) has the molecular formula CH7BrN2O2 and a molecular weight of 158.98 g/mol. Its IUPAC name is urea;hydrate;hydrobromide.

Molecular Properties

Compound Nameurea;hydrate;hydrobromide
PubChem CID160976680
Molecular FormulaCH7BrN2O2
Molecular Weight158.98 g/mol
Exact Mass157.97
IUPAC Nameurea;hydrate;hydrobromide
SMILESBr.NC(N)=O.O
InChIInChI=1S/CH4N2O.BrH.H2O/c2-1(3)4;;/h(H4,2,3,4);1H;1H2
InChIKeyWZRAHCYWYFZFBB-UHFFFAOYSA-N
XLogP-1.22
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.98
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of urea;hydrate;hydrobromide?
The IUPAC name of urea;hydrate;hydrobromide (CID 160976680) is urea;hydrate;hydrobromide.
What is the SMILES notation for urea;hydrate;hydrobromide?
The canonical SMILES for urea;hydrate;hydrobromide is Br.NC(N)=O.O.
What is the InChIKey of urea;hydrate;hydrobromide?
The InChIKey is WZRAHCYWYFZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.BrH.H2O/c2-1(3)4;;/h(H4,2,3,4);1H;1H2.
What are the key properties of urea;hydrate;hydrobromide?
urea;hydrate;hydrobromide has a molecular weight of 158.98 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 urea;hydrate;hydrobromide is sourced from PubChem (CID 160976680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).