3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid

Formula:C19H14N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C19H14N3O5ClS
Smiles	OC(c1cccc(CN(C(Cl)=C(/C=N\NC(c(cc2)ccc2O)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C19H14ClN3O5S/c20-16-15(9-21-22-17(25)12-4-6-14(24)7-5-12)29-19(28)23(16)10-11-2-1-3-13(8-11)18(26)27/h1-9,24H,10H2,(H,22,25)(H,26,27)
InChIK	VCSDQLHEHATUIH-UHFFFAOYSA-N
TotalMolweight	431.855
Molweight	431.855
MonoisotopicMass	431.034269
CLogP	2.7113
CLogS	-5.045
H Acceptors	8
H Donors	3
TotalSurfaceArea	301.58
Relative PSA	0.36252
PolarSurfaceArea	144.6
Druglikeness	7.2604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid | 2 - 3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid

Request More Details | 3-[[4-chloro-5-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments