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

Formula:C18H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C18H14N2O5
Smiles	OC(COc1ccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1)=O
InChI	InChI=1S/C18H14N2O5/c21-16(22)11-25-14-8-6-12(7-9-14)10-15-17(23)19-20(18(15)24)13-4-2-1-3-5-13/h1-10H,11H2,(H,19,23)(H,21,22)
InChIK	MTJRISQATSQCDJ-UHFFFAOYSA-N
TotalMolweight	338.318
Molweight	338.318
MonoisotopicMass	338.090273
CLogP	0.4036
CLogS	-2.683
H Acceptors	7
H Donors	2
TotalSurfaceArea	249.35
Relative PSA	0.30973
PolarSurfaceArea	95.94
Druglikeness	4.0951
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | 2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments