Mrv0541 02241205062D          

  7  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7714    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.6500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  2  0  0  0  0
  6  7  2  0  0  0  0
  5  6  2  0  0  0  0
M  CHG  7   1   2   2  -1   3   1   4  -1   5  -1   6   1   7  -1
M  END
> <DATABASE_ID>
T3D1206

> <DATABASE_NAME>
t3db

> <SMILES>
[Cu++].[N-]=[N+]=[N-].[N-]=[N+]=[N-]

> <INCHI_IDENTIFIER>
InChI=1S/Cu.2N3/c;2*1-3-2/q+2;2*-1

> <INCHI_KEY>
SXHYOTRZGGGMEV-UHFFFAOYSA-N

> <FORMULA>
CuN6

> <MOLECULAR_WEIGHT>
147.586

> <EXACT_MASS>
146.948045109

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.7030617402501784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) ion bis(2λ⁵-triaz-1-en-2-yn-1-ide)

> <JCHEM_LOGP>
0.07809129666666668

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.091567813652693

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
7.6

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) ion bis(azide)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1206

> <NAME>
Copper(II) azide

> <CAS>
14215-30-6

> <SYNONYMS>
Copper azide

> <TYPES>
Inorganic Compound; Copper Compound; Industrial/Workplace Toxin; Synthetic Compound

$$$$