(ethylselanyl)methanimidamide

• ChemBase ID: 2317
• Molecular Formular: C3H8N2Se
• Molecular Mass: 151.06902
• Monoisotopic Mass: 151.98526927
• SMILES: CC[Se]C(=N)N
• Canonical SMILES: CC[Se]C(=N)N
• InChI: InChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
• InChIKey: FFKYNFXDBBLWGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethylselanyl)methanimidamide
• IUPAC Traditional name: se-ethyl-isoselenourea
• Synonyms: Se-Ethyl-Isoselenourea

Database IDs

• PubChem SID: 160965769; 46504841
• PubChem CID: 449633

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 45.0985 cm^3
• Polarizability: 8.480185 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1936216
• LogD (pH = 7.4): -1.7541652
• Log P: 0.3692

ALOGPS 2.1

• Solubility (Water): 6.60e+00 g/l
• Log P: -0.25
• LOG S: -1.36

DETAILS

DrugBank - DB02589

Drug information: experimental