Mrv0541 02241204372D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1830

> <DATABASE_NAME>
t3db

> <SMILES>
[Se]=C=[Se]

> <INCHI_IDENTIFIER>
InChI=1S/CSe2/c2-1-3

> <INCHI_KEY>
JNZSJDBNBJWXMZ-UHFFFAOYSA-N

> <FORMULA>
CSe2

> <MOLECULAR_WEIGHT>
169.93

> <EXACT_MASS>
171.833043656

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
5.294849097894707

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanediselone

> <ALOGPS_LOGP>
-0.97

> <JCHEM_LOGP>
0.36549999999999994

> <ALOGPS_LOGS>
0.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
29.7284

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.51e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbon diselenide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1830

> <NAME>
Carbon diselenide

> <CAS>
506-80-9

> <SYNONYMS>
Carbon selenide; Carbon selenide (CSe2); CSe2; Diselenoxomethane

> <TYPES>
Inorganic Compound; Organic Compound; Selenium Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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