[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C24H15N2O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C24H15N2O6Cl
Smiles	O=C(c(cc1)cc2c1OCO2)Oc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1Cl
InChI	InChI=1S/C24H15ClN2O6/c25-16-7-9-19(33-24(30)14-6-8-20-21(12-14)32-13-31-20)15(10-16)11-18-22(28)26-27(23(18)29)17-4-2-1-3-5-17/h1-12H,13H2,(H,26,28)
InChIK	PTRXZXZRXNKXGB-UHFFFAOYSA-N
TotalMolweight	462.844
Molweight	462.844
MonoisotopicMass	462.061865
CLogP	3.4915
CLogS	-5.807
H Acceptors	8
H Donors	1
TotalSurfaceArea	324.68
Relative PSA	0.25912
PolarSurfaceArea	94.17
Druglikeness	3.8983
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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1 - [4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

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