(Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine

Formula:C14H10N2O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine is a drug-like molecule.

MolName(Z)-N-[(4-bromo-2-fluorophenyl)methoxy]-1-(3-nitrophenyl)methanimine
MolecularFormulaC14H10N2O3BrF
Smiles[O-][N+](c1cccc(/C=N\OCc(ccc(Br)c2)c2F)c1)=O
InChIInChI=1S/C14H10BrFN2O3/c15-12-5-4-11(14(16)7-12)9-21-17-8-10-2-1-3-13(6-10)18(19)20/h1-8H,9H2
InChIKWWMKIPZLRSMYMW-UHFFFAOYSA-N
TotalMolweight353.146
Molweight353.146
MonoisotopicMass351.985882
CLogP3.7401
CLogS-5.25
H Acceptors5
TotalSurfaceArea230.19
Relative PSA0.2256
PolarSurfaceArea67.41
Druglikeness-8.2788
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.66667
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
AcidicOxygens1
StereoCon

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