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

Formula:C18H12N3O7Cl Mutagenic:low Tumorigenic:none Reproductive Effective:high 2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid
MolecularFormula	C18H12N3O7Cl
Smiles	[O-][N+](c(cc(cc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)Cl)c1OCC(O)=O)=O
InChI	InChI=1S/C18H12ClN3O7/c19-11-6-10(16(29-9-15(23)24)14(8-11)22(27)28)7-13-17(25)20-21(18(13)26)12-4-2-1-3-5-12/h1-8H,9H2,(H,20,25)(H,23,24)
InChIK	AUHJAUREOACDSF-UHFFFAOYSA-N
TotalMolweight	417.76
Molweight	417.76
MonoisotopicMass	417.036379
CLogP	0.088
CLogS	-3.879
H Acceptors	10
H Donors	2
TotalSurfaceArea	288.44
Relative PSA	0.37321
PolarSurfaceArea	141.76
Druglikeness	-0.85767
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

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

Request More Details | 2-[4-chloro-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-nitrophenoxy]acetic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments