5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine

Formula:C10H8N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine is a drug-like molecule.

MolName	5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
MolecularFormula	C10H8N4O2S
Smiles	Nc1nnc(/C=C/c2cc([N+]([O-])=O)ccc2)s1
InChI	InChI=1S/C10H8N4O2S/c11-10-13-12-9(17-10)5-4-7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,13)
InChIK	DNNGSBJELCTEJW-UHFFFAOYSA-N
TotalMolweight	248.266
Molweight	248.266
MonoisotopicMass	248.036796
CLogP	1.1107
CLogS	-3.495
H Acceptors	6
H Donors	1
TotalSurfaceArea	185.17
Relative PSA	0.47518
PolarSurfaceArea	125.86
Druglikeness	-3.0987
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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