propan-2-yl 4-[3-(4-acetylanilino)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate

Formula:C22H19N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none propan-2-yl 4-[3-(4-acetylanilino)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate is a drug-like molecule.

MolName	propan-2-yl 4-[3-(4-acetylanilino)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate
MolecularFormula	C22H19N2O5Cl
Smiles	CC(C)OC(c(cc1)ccc1N(C(C(Nc(cc1)ccc1C(C)=O)=C1Cl)=O)C1=O)=O
InChI	InChI=1S/C22H19ClN2O5/c1-12(2)30-22(29)15-6-10-17(11-7-15)25-20(27)18(23)19(21(25)28)24-16-8-4-14(5-9-16)13(3)26/h4-12,24H,1-3H3
InChIK	HKAFGLIVBVBQKO-UHFFFAOYSA-N
TotalMolweight	426.855
Molweight	426.855
MonoisotopicMass	426.09825
CLogP	2.8745
CLogS	-5.698
H Acceptors	7
H Donors	1
TotalSurfaceArea	309.9
Relative PSA	0.24902
PolarSurfaceArea	92.78
Druglikeness	-0.86133
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
Amides	1
StereoCon

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