2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C13H12N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C13H12N6O3S
Smiles	Nc1nnc(CC(N/N=C/C=C/c2cc([N+]([O-])=O)ccc2)=O)s1
InChI	InChI=1S/C13H12N6O3S/c14-13-18-17-12(23-13)8-11(20)16-15-6-2-4-9-3-1-5-10(7-9)19(21)22/h1-7H,8H2,(H2,14,18)(H,16,20)
InChIK	SYBFWZUGYFCJFN-UHFFFAOYSA-N
TotalMolweight	332.343
Molweight	332.343
MonoisotopicMass	332.069159
CLogP	0.4621
CLogS	-3.721
H Acceptors	9
H Donors	2
TotalSurfaceArea	252.9
Relative PSA	0.49031
PolarSurfaceArea	167.32
Druglikeness	0.76042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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