N-[4-(4-nitrophenyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

Formula:C21H16N6O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-(4-nitrophenyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.

MolName	N-[4-(4-nitrophenyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
MolecularFormula	C21H16N6O3S
Smiles	[O-][N+](c(cc1)ccc1-c(cc1)ccc1NC(CSc1nnnn1-c1ccccc1)=O)=O
InChI	InChI=1S/C21H16N6O3S/c28-20(14-31-21-23-24-25-26(21)18-4-2-1-3-5-18)22-17-10-6-15(7-11-17)16-8-12-19(13-9-16)27(29)30/h1-13H,14H2,(H,22,28)
InChIK	RWQMJMAIHRZXHQ-UHFFFAOYSA-N
TotalMolweight	432.463
Molweight	432.463
MonoisotopicMass	432.100459
CLogP	2.8982
CLogS	-6.284
H Acceptors	9
H Donors	1
TotalSurfaceArea	322.15
Relative PSA	0.34825
PolarSurfaceArea	143.82
Druglikeness	-3.5332
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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