2-benzylsulfanyl-N-[4-(4-nitrophenyl)phenyl]acetamide

Formula:C21H18N2O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-benzylsulfanyl-N-[4-(4-nitrophenyl)phenyl]acetamide is a drug-like molecule.

MolName	2-benzylsulfanyl-N-[4-(4-nitrophenyl)phenyl]acetamide
MolecularFormula	C21H18N2O3S
Smiles	[O-][N+](c(cc1)ccc1-c(cc1)ccc1NC(CSCc1ccccc1)=O)=O
InChI	InChI=1S/C21H18N2O3S/c24-21(15-27-14-16-4-2-1-3-5-16)22-19-10-6-17(7-11-19)18-8-12-20(13-9-18)23(25)26/h1-13H,14-15H2,(H,22,24)
InChIK	USJBIIUVAKUIEG-UHFFFAOYSA-N
TotalMolweight	378.451
Molweight	378.451
MonoisotopicMass	378.103813
CLogP	3.7343
CLogS	-6.46
H Acceptors	5
H Donors	1
TotalSurfaceArea	290.67
Relative PSA	0.24911
PolarSurfaceArea	100.22
Druglikeness	-3.821
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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