(Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine

Formula:C11H8N3O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine is a drug-like molecule.

MolName(Z)-N-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-(3-nitrophenyl)methanimine
MolecularFormulaC11H8N3O3ClS
Smiles[O-][N+](c1cccc(/C=N\OCc(s2)cnc2Cl)c1)=O
InChIInChI=1S/C11H8ClN3O3S/c12-11-13-6-10(19-11)7-18-14-5-8-2-1-3-9(4-8)15(16)17/h1-6H,7H2
InChIKZRNOUTWLQYDLOK-UHFFFAOYSA-N
TotalMolweight297.722
Molweight297.722
MonoisotopicMass296.997489
CLogP2.9271
CLogS-4.55
H Acceptors6
TotalSurfaceArea215.33
Relative PSA0.38666
PolarSurfaceArea108.54
Druglikeness-3.1656
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.68421
Fragments1
Non HAtoms19
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Aromatic Nitrogens1
AcidicOxygens1
StereoCon

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