2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid

Formula:C18H12N2O5BrCl Mutagenic:low Tumorigenic:none Reproductive Effective:high 2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C18H12N2O5BrCl
Smiles	OC(COc(c(/C=C(/C(NN1c2ccccc2)=O)\C1=O)cc(Cl)c1)c1Br)=O
InChI	InChI=1S/C18H12BrClN2O5/c19-14-8-11(20)6-10(16(14)27-9-15(23)24)7-13-17(25)21-22(18(13)26)12-4-2-1-3-5-12/h1-8H,9H2,(H,21,25)(H,23,24)
InChIK	RAVOUKRWLFOAME-UHFFFAOYSA-N
TotalMolweight	451.659
Molweight	451.659
MonoisotopicMass	449.961811
CLogP	1.7348
CLogS	-4.253
H Acceptors	7
H Donors	2
TotalSurfaceArea	283.4
Relative PSA	0.27251
PolarSurfaceArea	95.94
Druglikeness	2.3644
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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