CID 136961634

C14H12N3OSe — CID 136961634

IUPAC—
SMILESOc1ccc(/C=N/N/C([Se])=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N3OSe/c18-13-8-6-11(7-9-13)10-15-17-14(19)16-12-4-2-1-3-5-12/h1-10,18H,(H,16,17)/b15-10+
InChIKeyRASDENWKVHCLMJ-XNTDXEJSSA-N
MW317.23 g/mol
LogP2.17
Rot. Bonds3

About CID 136961634

CID 136961634 (PubChem CID 136961634) has the molecular formula C14H12N3OSe and a molecular weight of 317.23 g/mol.

Molecular Properties

Compound NameCID 136961634
PubChem CID136961634
Molecular FormulaC14H12N3OSe
Molecular Weight317.23 g/mol
Exact Mass318.01
IUPAC Name—
SMILESOc1ccc(/C=N/N/C([Se])=N/c2ccccc2)cc1
InChIInChI=1S/C14H12N3OSe/c18-13-8-6-11(7-9-13)10-15-17-14(19)16-12-4-2-1-3-5-12/h1-10,18H,(H,16,17)/b15-10+
InChIKeyRASDENWKVHCLMJ-XNTDXEJSSA-N
XLogP2.17
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
CID 716613
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
(2R,3S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136757616
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
N-[(Z)-benzylideneamino]-3,5-dihydroxybenzamide
CID 170181665
N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135641596
N-[(4-hydroxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230869
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201

Frequently Asked Questions

What is the IUPAC name of CID 136961634?
The IUPAC name of CID 136961634 (CID 136961634) is not available.
What is the SMILES notation for CID 136961634?
The canonical SMILES for CID 136961634 is Oc1ccc(/C=N/N/C([Se])=N/c2ccccc2)cc1.
What is the InChIKey of CID 136961634?
The InChIKey is RASDENWKVHCLMJ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N3OSe/c18-13-8-6-11(7-9-13)10-15-17-14(19)16-12-4-2-1-3-5-12/h1-10,18H,(H,16,17)/b15-10+.
What are the key properties of CID 136961634?
CID 136961634 has a molecular weight of 317.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136961634 is sourced from PubChem (CID 136961634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).