Mrv1572004011623172D          

 16 15  0  0  0  0            999 V2000
   -1.0717    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8063   -0.7728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  7  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  5  2  0  0  0  0
  5  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016958

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N

> <INCHI_IDENTIFIER>
InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H

> <INCHI_KEY>
ACHKKGDWZVCSNH-UHFFFAOYSA-N

> <FORMULA>
C6H9Cl2N7O

> <MOLECULAR_WEIGHT>
266.09

> <EXACT_MASS>
265.0245633

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
20.00873206622474

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide hydrochloride

> <ALOGPS_LOGP>
-0.48

> <JCHEM_LOGP>
-0.4954324606666666

> <ALOGPS_LOGS>
-2.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.813677301389493

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.426254300962716

> <JCHEM_PKA_STRONGEST_BASIC>
7.3459099700062565

> <JCHEM_POLAR_SURFACE_AREA>
156.79

> <JCHEM_REFRACTIVITY>
67.18119999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.16e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
amilorida hydrochloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Amiloride hydrochloride

> <CAS>
2016-88-8

> <SYNONYMS>
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide hydrochloride

$$$$