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

Formula:C23H14N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.

MolName	[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C23H14N2O4Cl2
Smiles	O=C(c(cccc1)c1Cl)Oc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1Cl
InChI	InChI=1S/C23H14Cl2N2O4/c24-15-10-11-20(31-23(30)17-8-4-5-9-19(17)25)14(12-15)13-18-21(28)26-27(22(18)29)16-6-2-1-3-7-16/h1-13H,(H,26,28)
InChIK	ZKYQAGRVTLIUSV-UHFFFAOYSA-N
TotalMolweight	453.28
Molweight	453.28
MonoisotopicMass	452.033062
CLogP	3.9861
CLogS	-5.832
H Acceptors	6
H Donors	1
TotalSurfaceArea	319.84
Relative PSA	0.20051
PolarSurfaceArea	75.71
Druglikeness	3.92
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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

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