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(1R,2R,6S,7S)-4-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

Formula:C22H16N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (1R,2R,6S,7S)-4-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
MolName(1R,2R,6S,7S)-4-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
MolecularFormulaC22H16N3O5Cl
Smiles[O-][N+](c(cc1)cc(-c2ccc(/C=N\N(C([C@H]([C@H]34)[C@@H]5C=C[C@H]4C54CC4)=O)C3=O)o2)c1Cl)=O
InChIInChI=1S/C22H16ClN3O5/c23-16-5-1-11(26(29)30)9-13(16)17-6-2-12(31-17)10-24-25-20(27)18-14-3-4-15(19(18)21(25)28)22(14)7-8-22/h1-6,9-10,14-15,18-19H,7-8H2/t14-,15-,18-,19+/m1/s1
InChIKWGCPBYBEOQDXQU-RGCFKVTRSA-N
TotalMolweight437.838
Molweight437.838
MonoisotopicMass437.077849
CLogP2.6694
CLogS-6.347
H Acceptors8
TotalSurfaceArea292.79
Relative PSA0.2926
PolarSurfaceArea108.7
Druglikeness2.32
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantlow
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
StereoCenters4
Rotatable Bond4
Rings Closures6
Small Rings7
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms8
Symmetricatoms1
AcidicOxygens1
StereoConthis enantiomer

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