3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide

Formula:C24H18N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide is a drug-like molecule.

MolName	3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide
MolecularFormula	C24H18N3O4S
Smiles	[O-][N+](C(C1(c2c3cccc2)SC2=CC=CC=CC2=[N+]1Cc1ccccc1)=C/C3=[N+](\[O-])/O)=O
InChI	InChI=1S/C24H18N3O4S/c28-26(29)21-15-23(27(30)31)24(19-12-8-7-11-18(19)21)25(16-17-9-3-1-4-10-17)20-13-5-2-6-14-22(20)32-24/h1-15H,16H2,(H,28,29)/q+1/t24-/m0/s1
InChIK	XKCHQQOQCLQNHP-DEOSSOPVSA-N
TotalMolweight	444.49
Molweight	444.49
MonoisotopicMass	444.101802
CLogP	2.8593
CLogS	-5.914
H Acceptors	7
H Donors	1
TotalSurfaceArea	308.47
Relative PSA	0.23727
PolarSurfaceArea	123.11
Druglikeness	-3.9026
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	3
StereoCon	racemate

Click to Load Molecule:

1 - 3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide | 2 - 3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide

Request More Details | 3-benzyl-N-hydroxy-3'-nitrospiro[cyclohepta[d][1,3]thiazol-3-ium-2,4'-naphthalene]-1'-imine oxide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments