General Information of the Compound
Compound ID
CP0519273
Compound Name
2,7-dinitrofluoren-9-one
    Show/Hide
Structure
Formula
C13H6N2O5
Molecular Weight
270.2
Canonical SMILES
[O-][N+](=O)c1ccc2-c3ccc(cc3C(=O)c2c1)[N+]([O-])=O
    Show/Hide
InChI
InChI=1S/C13H6N2O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H
    Show/Hide
InChIKey
HDVGAFBXTXDYIB-UHFFFAOYSA-N
CAS
7239-14-7
31551-45-8
Physicochemical Property
logP
2.7144
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
103.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 35842
SID: 16121386
ChEMBL ID
CHEMBL424175
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000922 MDCK-UT-A1-AQP1-YFP Canis lupus familiaris (Dog)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS