5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one

Formula:C23H15NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one is a drug-like molecule.

MolName5-hydroxy-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
MolecularFormulaC23H15NO7
Smiles[O-][N+](c1cc(C(COc(cc2O)cc(OC(c3ccccc3)=C3)c2C3=O)=O)ccc1)=O
InChIInChI=1S/C23H15NO7/c25-18-10-17(30-13-20(27)15-7-4-8-16(9-15)24(28)29)11-22-23(18)19(26)12-21(31-22)14-5-2-1-3-6-14/h1-12,25H,13H2
InChIKLVWJOCFSQBHVFE-UHFFFAOYSA-N
TotalMolweight417.372
Molweight417.372
MonoisotopicMass417.084854
CLogP2.9954
CLogS-5.542
H Acceptors8
H Donors1
TotalSurfaceArea303.27
Relative PSA0.29545
PolarSurfaceArea118.65
Druglikeness-4.0594
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.54839
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
AcidicOxygens1
StereoCon

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