Mrv1652306031609362D          

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  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  7  2  0  0  0  0
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 31 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045708

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(=O)OC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(OC(C)=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3

> <INCHI_KEY>
CHADEQDQBURGHL-UHFFFAOYSA-N

> <FORMULA>
C24H16O7

> <MOLECULAR_WEIGHT>
416.385

> <EXACT_MASS>
416.089602855

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
41.247582792340836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3'-(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6'-yl acetate

> <ALOGPS_LOGP>
3.91

> <JCHEM_LOGP>
3.7019954153333323

> <ALOGPS_LOGS>
-5.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7369986033732956

> <JCHEM_POLAR_SURFACE_AREA>
88.13000000000001

> <JCHEM_REFRACTIVITY>
109.52309999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.51e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluorescein, diacetate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Flurescein Diacetate

> <CAS>
596-09-8

$$$$