7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenylchromen-4-one

Formula:C21H12N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenylchromen-4-one is a drug-like molecule.

MolName	7-(2,4-dinitrophenoxy)-5-hydroxy-2-phenylchromen-4-one
MolecularFormula	C21H12N2O8
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O)=O
InChI	InChI=1S/C21H12N2O8/c24-16-9-14(30-18-7-6-13(22(26)27)8-15(18)23(28)29)10-20-21(16)17(25)11-19(31-20)12-4-2-1-3-5-12/h1-11,24H
InChIK	VFNGEUJYPQVTEW-UHFFFAOYSA-N
TotalMolweight	420.332
Molweight	420.332
MonoisotopicMass	420.059368
CLogP	2.5795
CLogS	-6.665
H Acceptors	10
H Donors	1
TotalSurfaceArea	295.43
Relative PSA	0.36212
PolarSurfaceArea	147.4
Druglikeness	-4.7789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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