hydroxyurea;dihydrochloride

CH6Cl2N2O2 — CID 175264488

IUPAChydroxyurea;dihydrochloride
SMILESCl.Cl.NC(=O)NO
InChIInChI=1S/CH4N2O2.2ClH/c2-1(4)3-5;;/h5H,(H3,2,3,4);2*1H
InChIKeyKHVVBCFBZLNSJM-UHFFFAOYSA-N
MW148.98 g/mol
LogP-0.11
Rot. Bonds

About hydroxyurea;dihydrochloride

hydroxyurea;dihydrochloride (PubChem CID 175264488) has the molecular formula CH6Cl2N2O2 and a molecular weight of 148.98 g/mol. Its IUPAC name is hydroxyurea;dihydrochloride.

Molecular Properties

Compound Namehydroxyurea;dihydrochloride
PubChem CID175264488
Molecular FormulaCH6Cl2N2O2
Molecular Weight148.98 g/mol
Exact Mass147.98
IUPAC Namehydroxyurea;dihydrochloride
SMILESCl.Cl.NC(=O)NO
InChIInChI=1S/CH4N2O2.2ClH/c2-1(4)3-5;;/h5H,(H3,2,3,4);2*1H
InChIKeyKHVVBCFBZLNSJM-UHFFFAOYSA-N
XLogP-0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.98
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 173237266
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Frequently Asked Questions

What is the IUPAC name of hydroxyurea;dihydrochloride?
The IUPAC name of hydroxyurea;dihydrochloride (CID 175264488) is hydroxyurea;dihydrochloride.
What is the SMILES notation for hydroxyurea;dihydrochloride?
The canonical SMILES for hydroxyurea;dihydrochloride is Cl.Cl.NC(=O)NO.
What is the InChIKey of hydroxyurea;dihydrochloride?
The InChIKey is KHVVBCFBZLNSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2.2ClH/c2-1(4)3-5;;/h5H,(H3,2,3,4);2*1H.
What are the key properties of hydroxyurea;dihydrochloride?
hydroxyurea;dihydrochloride has a molecular weight of 148.98 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyurea;dihydrochloride is sourced from PubChem (CID 175264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).