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5-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Formula:C25H18N3O6Cl Mutagenic:low Tumorigenic:none Reproductive Effective:none 5-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one is a drug-like molecule.
MolName5-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
MolecularFormulaC25H18N3O6Cl
Smiles[O-][N+](c(cc(cc1)C(OC2=O)=N/C2=C\C2=Cc(cc3c4c5CCCN4CCC3)c5OC2=O)c1Cl)=O
InChIInChI=1S/C25H18ClN3O6/c26-18-6-5-14(12-20(18)29(32)33)23-27-19(25(31)35-23)11-16-10-15-9-13-3-1-7-28-8-2-4-17(21(13)28)22(15)34-24(16)30/h5-6,9-12H,1-4,7-8H2
InChIKWQRUANATKMGRTN-UHFFFAOYSA-N
TotalMolweight491.886
Molweight491.886
MonoisotopicMass491.088414
CLogP3.084
CLogS-6.671
H Acceptors9
TotalSurfaceArea338.86
Relative PSA0.2702
PolarSurfaceArea114.02
Druglikeness-2.1936
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro
Shape Index0.48571
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Amines1
Aromatic Amines1
AcidicOxygens1
StereoCon

Request More Details | 5-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one


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