(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 5-chloro-1,3-diphenylpyrazole-4-carboxylate

Formula:C31H19N2O5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (5-hydroxy-4-oxo-2-phenylchromen-7-yl) 5-chloro-1,3-diphenylpyrazole-4-carboxylate is not a drug-like molecule.

MolName	(5-hydroxy-4-oxo-2-phenylchromen-7-yl) 5-chloro-1,3-diphenylpyrazole-4-carboxylate
MolecularFormula	C31H19N2O5Cl
Smiles	Oc1cc(OC(c(c(-c2ccccc2)nn2-c3ccccc3)c2Cl)=O)cc(OC(c2ccccc2)=C2)c1C2=O
InChI	InChI=1S/C31H19ClN2O5/c32-30-28(29(20-12-6-2-7-13-20)33-34(30)21-14-8-3-9-15-21)31(37)38-22-16-23(35)27-24(36)18-25(39-26(27)17-22)19-10-4-1-5-11-19/h1-18,35H
InChIK	YFOHZTOILRXEAC-UHFFFAOYSA-N
TotalMolweight	534.954
Molweight	534.954
MonoisotopicMass	534.09825
CLogP	6.08
CLogS	-6.93
H Acceptors	7
H Donors	1
TotalSurfaceArea	388.74
Relative PSA	0.19813
PolarSurfaceArea	90.65
Druglikeness	3.8062
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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