[2-[(Z)-[[2-[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate

Formula:C22H17N5O6S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-[(Z)-[[2-[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate is not a drug-like molecule.

MolName	[2-[(Z)-[[2-[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
MolecularFormula	C22H17N5O6S2
Smiles	O=C(Cc1nnc(NC(c2ccco2)=O)s1)N/N=C\c(cccc1)c1OS(c1ccccc1)(=O)=O
InChI	InChI=1S/C22H17N5O6S2/c28-19(13-20-26-27-22(34-20)24-21(29)18-11-6-12-32-18)25-23-14-15-7-4-5-10-17(15)33-35(30,31)16-8-2-1-3-9-16/h1-12,14H,13H2,(H,25,28)(H,24,27,29)
InChIK	SOWBTXBDPCFVHB-UHFFFAOYSA-N
TotalMolweight	511.538
Molweight	511.538
MonoisotopicMass	511.062025
CLogP	3.2578
CLogS	-4.861
H Acceptors	11
H Donors	2
TotalSurfaceArea	371.21
Relative PSA	0.4189
PolarSurfaceArea	189.47
Druglikeness	1.7487
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - [2-[(Z)-[[2-[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate | 2 - [2-[(Z)-[[2-[5-(furan-2-carbonylamino)-1,3,4-thiadiazol-2-yl]acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate

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