3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one

Formula:C21H12O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one is not a drug-like molecule.

MolName3-(2,4-dichlorophenyl)-7-hydroxy-4-phenylchromen-2-one
MolecularFormulaC21H12O3Cl2
SmilesOc(cc1)cc(O2)c1C(c1ccccc1)=C(c(ccc(Cl)c1)c1Cl)C2=O
InChIInChI=1S/C21H12Cl2O3/c22-13-6-8-15(17(23)10-13)20-19(12-4-2-1-3-5-12)16-9-7-14(24)11-18(16)26-21(20)25/h1-11,24H
InChIKKQLYPOJGTYTULT-UHFFFAOYSA-N
TotalMolweight383.229
Molweight383.229
MonoisotopicMass382.016349
CLogP5.117
CLogS-5.708
H Acceptors3
H Donors1
TotalSurfaceArea267.14
Relative PSA0.13528
PolarSurfaceArea46.53
Druglikeness-0.19243
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms26
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
StereoCon

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