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

Formula:C18H13N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[4-bromo-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetic acid
MolecularFormula	C18H13N2O5Br
Smiles	OC(COc(cc1)c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc1Br)=O
InChI	InChI=1S/C18H13BrN2O5/c19-12-6-7-15(26-10-16(22)23)11(8-12)9-14-17(24)20-21(18(14)25)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,24)(H,22,23)
InChIK	QPEQZXAOIRJYNJ-UHFFFAOYSA-N
TotalMolweight	417.214
Molweight	417.214
MonoisotopicMass	416.000784
CLogP	1.1288
CLogS	-3.517
H Acceptors	7
H Donors	2
TotalSurfaceArea	267.98
Relative PSA	0.28819
PolarSurfaceArea	95.94
Druglikeness	2.3051
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53846
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

Click to Load Molecule:

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

Request More Details | 2-[4-bromo-2-[(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