Compound 367
  CheckMol                        TMF02:r0:m0
MF=C20H12O5 MW=332.31
 25 29  0  9  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2966    0.7662   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    2.2749   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6639    0.1650   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8997    2.6050   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6541    1.2966   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.1118   -1.2495   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.3849    2.7700   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0038    3.8309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0921    0.9076   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5735   -1.5559   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9860    4.1609   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2689    1.6031   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6050    5.2218   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.4951    3.6894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5636   -0.4243   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.0902    5.3868   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    4.3259   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.7423    1.7327   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.7092    6.4476   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4008    4.9153   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.3435    3.1236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2004    6.3062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.8287    3.2887   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    7.5321   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6 02  0  2  0  0
  4  7 01  0  1  0  0
  5  8  1  0  1  0  0
  5  9  1  0  1  0  0
  6 10 01  0  1  0  0
  7 11 02  0  1  0  0
  8 12 02  0  2  0  0
  8 13 01  0  1  0  0
  9 14 02  0  2  0  0
  9 15 01  0  1  0  0
 10 16 02  0  1  0  0
 12 17  1  0  1  0  0
 12 18 01  0  1  0  0
 13 19 02  0  1  0  0
 14 20 01  0  1  0  0
 15 21 02  0  1  0  0
 18 22 02  0  1  0  0
 20 23 02  0  1  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  6  1  0  1  0  0
 11 16 01  0  1  0  0
 14 17  1  0  1  0  0
 19 22 01  0  1  0  0
 21 23 01  0  1  0  0
M  END

2D Structure

Fluorescein

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Chemical Name - Fluorescein
Mol Weight - 332.31
Smiles - Oc1cc(Oc2c(C3(c4c5cccc4)OC5=O)ccc(O)c2)c3cc1

Property Name	Property Value
Mol Name	Fluorescein
Molweight	332.31
Monoisotopic Mass	332.068475
Clogp	3.7285
Clogs	-4.271
H Acceptors	5
H Donors	2
Total Surface Area	226.64
Relative Psa	0.26138
Polar Surface Area	75.99
Druglikeness	-1.2682
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.4
Molecular Flexibility	0.12201
Molecular Complexity	0.9148
Fragments	1
Non H Atoms	25
Non Ch Atoms	5
Electronegative Atoms	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	5
Symmetric Atoms	7
Smiles	Oc1cc(Oc2c(C3(c4c5cccc4)OC5=O)ccc(O)c2)c3cc1
InChIKey	InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
InChI	GNBHRKFJIUUOQI-UHFFFAOYSA-N

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1 — Fluorescein | 2 — Fluorescein