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

Formula:C17H15N5O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate is a drug-like molecule.

MolName	[2-[(Z)-[[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
MolecularFormula	C17H15N5O4S2
Smiles	Nc1nnc(CC(N/N=C\c(cccc2)c2OS(c2ccccc2)(=O)=O)=O)s1
InChI	InChI=1S/C17H15N5O4S2/c18-17-22-21-16(27-17)10-15(23)20-19-11-12-6-4-5-9-14(12)26-28(24,25)13-7-2-1-3-8-13/h1-9,11H,10H2,(H2,18,22)(H,20,23)
InChIK	QVNXHSACWRAUJE-UHFFFAOYSA-N
TotalMolweight	417.469
Molweight	417.469
MonoisotopicMass	417.056545
CLogP	2.2443
CLogS	-3.743
H Acceptors	9
H Donors	2
TotalSurfaceArea	301.07
Relative PSA	0.43897
PolarSurfaceArea	173.25
Druglikeness	0.53876
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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