Mrv1572004251602332D          

 11  8  0  0  0  0            999 V2000
    1.3200   -1.5718    0.0000 Mn  0  1  0  0  0  0  0  0  0  0  0  0
    3.6771    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075   -0.8574    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2095    0.2696    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2195   -0.5554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675    0.5716    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7425    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425   -0.2534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0825    0.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950   -0.1429    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425    0.5716    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 10  3  1  0  0  0  0
 10  4  1  0  0  0  0
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  0  0  0  0
M  CHG  4   1   3   3  -1   4  -1   6  -1
M  END
> <DATABASE_ID>
CHEM008996

> <DATABASE_NAME>
chemdb

> <SMILES>
N.[Mn+3].OP([O-])(=O)OP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)/q+3;;/p-3

> <INCHI_KEY>
UHHXUPJJDHEMGX-UHFFFAOYSA-K

> <FORMULA>
H4MnNO7P2

> <MOLECULAR_WEIGHT>
246.918

> <EXACT_MASS>
246.884344

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
9.355102708361091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganese(3+) ion amine (hydrogen phosphonatooxy)phosphonate

> <JCHEM_LOGP>
-1.4419023016666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.060391741362254

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7026764435673858

> <JCHEM_POLAR_SURFACE_AREA>
132.78

> <JCHEM_REFRACTIVITY>
22.1597

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
manganese(3+) ion amine diphosphate(3-)

> <JCHEM_VEBER_RULE>
0

> <NAME>
Manganese ammonium pyrophosphate

> <CAS>
10101-66-3

$$$$