N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide

Formula:C22H26N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide is a drug-like molecule.

MolName	N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide
MolecularFormula	C22H26N4O5S
Smiles	[O-][N+](c(cccc1)c1S(N(CC(NN/C1=C/CCCCCC1)=O)c1ccccc1)(=O)=O)=O
InChI	InChI=1S/C22H26N4O5S/c27-22(24-23-18-11-5-2-1-3-6-12-18)17-25(19-13-7-4-8-14-19)32(30,31)21-16-10-9-15-20(21)26(28)29/h4,7-11,13-16,23H,1-3,5-6,12,17H2,(H,24,27)
InChIK	RVEGSOAWUPTJTD-UHFFFAOYSA-N
TotalMolweight	458.537
Molweight	458.537
MonoisotopicMass	458.162391
CLogP	2.6168
CLogS	-5.739
H Acceptors	9
H Donors	2
TotalSurfaceArea	343.77
Relative PSA	0.28656
PolarSurfaceArea	132.71
Druglikeness	-8.0711
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide | 2 - N-[2-[2-[(1E)-cycloocten-1-yl]hydrazinyl]-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide

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