prop-2-enyl 2-chloro-5-[5-[(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate

Formula:C24H15N2O5Cl2F Mutagenic:high Tumorigenic:high Reproductive Effective:none prop-2-enyl 2-chloro-5-[5-[(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate is not a drug-like molecule.

MolName	prop-2-enyl 2-chloro-5-[5-[(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
MolecularFormula	C24H15N2O5Cl2F
Smiles	C=CCOC(c(cc(cc1)-c2ccc(/C=C(\C(NN3c(cc4)cc(Cl)c4F)=O)/C3=O)o2)c1Cl)=O
InChI	InChI=1S/C24H15Cl2FN2O5/c1-2-9-33-24(32)16-10-13(3-6-18(16)25)21-8-5-15(34-21)12-17-22(30)28-29(23(17)31)14-4-7-20(27)19(26)11-14/h2-8,10-12H,1,9H2,(H,28,30)
InChIK	MEJUCWBMUPOXPI-UHFFFAOYSA-N
TotalMolweight	501.296
Molweight	501.296
MonoisotopicMass	500.034205
CLogP	4.1835
CLogS	-6.786
H Acceptors	7
H Donors	1
TotalSurfaceArea	354.18
Relative PSA	0.2209
PolarSurfaceArea	88.85
Druglikeness	-5.2477
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
StereoCon

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1 - prop-2-enyl 2-chloro-5-[5-[(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate | 2 - prop-2-enyl 2-chloro-5-[5-[(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate

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