(3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

Formula:C19H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is a drug-like molecule.

MolName(3Z)-3-[(4-nitrophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
MolecularFormulaC19H15N3O5
Smiles[O-][N+](c1ccc(CO/N=C\CC(c2cc(-c3ccccc3)no2)=O)cc1)=O
InChIInChI=1S/C19H15N3O5/c23-18(19-12-17(21-27-19)15-4-2-1-3-5-15)10-11-20-26-13-14-6-8-16(9-7-14)22(24)25/h1-9,11-12H,10,13H2
InChIKFYVVACJAZRBLSW-UHFFFAOYSA-N
TotalMolweight365.344
Molweight365.344
MonoisotopicMass365.101172
CLogP2.3819
CLogS-5.339
H Acceptors8
TotalSurfaceArea284.93
Relative PSA0.31604
PolarSurfaceArea110.51
Druglikeness-2.5454
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.7037
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms4
Symmetricatoms4
Aromatic Nitrogens1
AcidicOxygens1
StereoCon

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