(6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate

Formula:C23H15NO8S Mutagenic:none Tumorigenic:none Reproductive Effective:high (6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate is a drug-like molecule.

MolName	(6,7-dihydroxy-2-oxochromen-4-yl)methyl 3-nitro-4-phenylsulfanylbenzoate
MolecularFormula	C23H15NO8S
Smiles	[O-][N+](c(cc(cc1)C(OCC(c(cc(c(O)c2)O)c2O2)=CC2=O)=O)c1Sc1ccccc1)=O
InChI	InChI=1S/C23H15NO8S/c25-18-10-16-14(9-22(27)32-20(16)11-19(18)26)12-31-23(28)13-6-7-21(17(8-13)24(29)30)33-15-4-2-1-3-5-15/h1-11,25-26H,12H2
InChIK	PBJFGZFLARVWSA-UHFFFAOYSA-N
TotalMolweight	465.437
Molweight	465.437
MonoisotopicMass	465.051839
CLogP	2.7854
CLogS	-4.826
H Acceptors	9
H Donors	2
TotalSurfaceArea	327.11
Relative PSA	0.36743
PolarSurfaceArea	164.18
Druglikeness	-7.0566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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