5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid

Formula:C13H10N2O6BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid is a drug-like molecule.

MolName	5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
MolecularFormula	C13H10N2O6BrClS
Smiles	OS(c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)o1)(=O)=O
InChI	InChI=1S/C13H10BrClN2O6S/c14-10-5-8(15)1-3-11(10)22-7-12(18)17-16-6-9-2-4-13(23-9)24(19,20)21/h1-6H,7H2,(H,17,18)(H,19,20,21)
InChIK	CEPIRCRXNLBUJM-UHFFFAOYSA-N
TotalMolweight	437.653
Molweight	437.653
MonoisotopicMass	435.913146
CLogP	1.1645
CLogS	-3.122
H Acceptors	8
H Donors	2
TotalSurfaceArea	269.42
Relative PSA	0.37785
PolarSurfaceArea	126.58
Druglikeness	4.2089
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid | 2 - 5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid

Request More Details | 5-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments