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

Formula:C18H13N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-chloro-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C18H13N2O5Cl
Smiles	OC(COc(ccc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Cl)=O
InChI	InChI=1S/C18H13ClN2O5/c19-14-9-11(6-7-15(14)26-10-16(22)23)8-13-17(24)20-21(18(13)25)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,24)(H,22,23)
InChIK	CIEDUOSPACFTNN-UHFFFAOYSA-N
TotalMolweight	372.763
Molweight	372.763
MonoisotopicMass	372.0513
CLogP	1.0096
CLogS	-3.419
H Acceptors	7
H Donors	2
TotalSurfaceArea	264.77
Relative PSA	0.29169
PolarSurfaceArea	95.94
Druglikeness	4.1544
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
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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