3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Formula:C16H13N5O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
MolecularFormula	C16H13N5O4S
Smiles	Nc1nnc(CC(N/N=C\c2ccc(-c3cc(C(O)=O)ccc3)o2)=O)s1
InChI	InChI=1S/C16H13N5O4S/c17-16-21-20-14(26-16)7-13(22)19-18-8-11-4-5-12(25-11)9-2-1-3-10(6-9)15(23)24/h1-6,8H,7H2,(H2,17,21)(H,19,22)(H,23,24)
InChIK	HGSIBOXUPUVKGY-UHFFFAOYSA-N
TotalMolweight	371.376
Molweight	371.376
MonoisotopicMass	371.068825
CLogP	1.7894
CLogS	-4.442
H Acceptors	9
H Donors	3
TotalSurfaceArea	276.28
Relative PSA	0.4844
PolarSurfaceArea	171.94
Druglikeness	7.6476
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Request More Details | 3-[5-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments