3-nitro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C17H12N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-nitro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	3-nitro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C17H12N4O3S
Smiles	[O-][N+](c1cccc(C(Nc2nnc(/C=C/c3ccccc3)s2)=O)c1)=O
InChI	InChI=1S/C17H12N4O3S/c22-16(13-7-4-8-14(11-13)21(23)24)18-17-20-19-15(25-17)10-9-12-5-2-1-3-6-12/h1-11H,(H,18,20,22)
InChIK	DLVXJGAAQCMYMP-UHFFFAOYSA-N
TotalMolweight	352.373
Molweight	352.373
MonoisotopicMass	352.063011
CLogP	2.9355
CLogS	-4.931
H Acceptors	7
H Donors	1
TotalSurfaceArea	265.62
Relative PSA	0.36601
PolarSurfaceArea	128.94
Druglikeness	-1.2275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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