Mrv1572004191601242D          

  5  4  0  0  0  0            999 V2000
   -0.8250   -1.4289    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 B   0  3  0  0  0  0  0  0  0  0  0  0
  3  1  3  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  RAD  1   2   2
M  END
> <DATABASE_ID>
CHEM004513

> <DATABASE_NAME>
chemdb

> <SMILES>
[B]=B[B+][B-]#B

> <INCHI_IDENTIFIER>
InChI=1S/B5/c1-3-5-4-2

> <INCHI_KEY>
XDBQOOLVPWHLAR-UHFFFAOYSA-N

> <FORMULA>
B5

> <MOLECULAR_WEIGHT>
54.05

> <EXACT_MASS>
55.046525

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
8.489268053889802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2λ⁵-pentabora-2,4-dien-1-yn-5-yl

> <JCHEM_LOGP>
2.3616

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2λ⁵-pentabora-2,4-dien-1-yn-5-yl

> <JCHEM_VEBER_RULE>
1

> <NAME>
Pentaborane

> <CAS>
19624-22-7

$$$$