methyl 4-[7-[(4-nitrophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate

Formula:C24H17NO8 Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl 4-[7-[(4-nitrophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate is a drug-like molecule.

MolName	methyl 4-[7-[(4-nitrophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
MolecularFormula	C24H17NO8
Smiles	COC(c(cc1)ccc1OC1=COc(cc(cc2)OCc(cc3)ccc3[N+]([O-])=O)c2C1=O)=O
InChI	InChI=1S/C24H17NO8/c1-30-24(27)16-4-8-18(9-5-16)33-22-14-32-21-12-19(10-11-20(21)23(22)26)31-13-15-2-6-17(7-3-15)25(28)29/h2-12,14H,13H2,1H3
InChIK	UQTKLXFYDMANEU-UHFFFAOYSA-N
TotalMolweight	447.398
Molweight	447.398
MonoisotopicMass	447.095419
CLogP	3.1942
CLogS	-5.988
H Acceptors	9
TotalSurfaceArea	329.18
Relative PSA	0.29315
PolarSurfaceArea	116.88
Druglikeness	-7.7324
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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