(Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine

Formula:C17H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine is a drug-like molecule.

MolName(Z)-1-(3-nitrophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]methanimine
MolecularFormulaC17H13N3O3S
Smiles[O-][N+](c1cccc(/C=N\OCc2csc(-c3ccccc3)n2)c1)=O
InChIInChI=1S/C17H13N3O3S/c21-20(22)16-8-4-5-13(9-16)10-18-23-11-15-12-24-17(19-15)14-6-2-1-3-7-14/h1-10,12H,11H2
InChIKILXLYJFZPLNBJH-UHFFFAOYSA-N
TotalMolweight339.374
Molweight339.374
MonoisotopicMass339.067762
CLogP3.6232
CLogS-4.453
H Acceptors6
TotalSurfaceArea259.67
Relative PSA0.32064
PolarSurfaceArea108.54
Druglikeness-1.8547
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens1
AcidicOxygens1
StereoCon

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