CID 172941482

C8H7ClN3Se — CID 172941482

IUPAC—
SMILESNC([Se])=N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN3Se/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+
InChIKeySUEALJTWVILJJK-VZUCSPMQSA-N
MW259.58 g/mol
LogP1.16
Rot. Bonds2

About CID 172941482

CID 172941482 (PubChem CID 172941482) has the molecular formula C8H7ClN3Se and a molecular weight of 259.58 g/mol.

Molecular Properties

Compound NameCID 172941482
PubChem CID172941482
Molecular FormulaC8H7ClN3Se
Molecular Weight259.58 g/mol
Exact Mass259.95
IUPAC Name—
SMILESNC([Se])=N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H7ClN3Se/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+
InChIKeySUEALJTWVILJJK-VZUCSPMQSA-N
XLogP1.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.58
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
CID 6330289
CID 6330289
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
1-N',2-N'-bis[(Z)-(4-methylphenyl)methylideneamino]ethanediimidamide
CID 171376890
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769

Frequently Asked Questions

What is the IUPAC name of CID 172941482?
The IUPAC name of CID 172941482 (CID 172941482) is not available.
What is the SMILES notation for CID 172941482?
The canonical SMILES for CID 172941482 is NC([Se])=N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of CID 172941482?
The InChIKey is SUEALJTWVILJJK-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7ClN3Se/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,(H2,10,12)/b11-5+.
What are the key properties of CID 172941482?
CID 172941482 has a molecular weight of 259.58 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172941482 is sourced from PubChem (CID 172941482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).