N-[5-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C22H13N5O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[5-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide is a drug-like molecule.

MolName	N-[5-[(E)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C22H13N5O4S
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1ccc(-c(cccc2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C22H13N5O4S/c23-13-15(21-25-26-22(32-21)24-20(28)14-6-2-1-3-7-14)12-16-10-11-19(31-16)17-8-4-5-9-18(17)27(29)30/h1-12H,(H,24,26,28)
InChIK	UNRQDHSOTXLKLB-UHFFFAOYSA-N
TotalMolweight	443.442
Molweight	443.442
MonoisotopicMass	443.068825
CLogP	3.3404
CLogS	-6.268
H Acceptors	9
H Donors	1
TotalSurfaceArea	334.99
Relative PSA	0.37282
PolarSurfaceArea	165.87
Druglikeness	-4.3042
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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