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

Formula:C19H15N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (1R,2S,6R,7S)-4-[(Z)-(6-nitro-1,3-benzodioxol-5-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,2S,6R,7S)-4-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
MolecularFormulaC19H15N3O6
Smiles[O-][N+](c1c(/C=N\N(C([C@H]([C@H]23)[C@H]4C=C[C@@H]3C43CC3)=O)C2=O)cc2OCOc2c1)=O
InChIInChI=1S/C19H15N3O6/c23-17-15-10-1-2-11(19(10)3-4-19)16(15)18(24)21(17)20-7-9-5-13-14(28-8-27-13)6-12(9)22(25)26/h1-2,5-7,10-11,15-16H,3-4,8H2/t10-,11-,15-,16+/m0/s1
InChIKMRWFAVQHZKOANW-KUDNYVPYSA-N
TotalMolweight381.343
Molweight381.343
MonoisotopicMass381.096087
CLogP1.2359
CLogS-4.862
H Acceptors9
TotalSurfaceArea248.18
Relative PSA0.36893
PolarSurfaceArea114.02
Druglikeness-0.14951
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.46429
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
StereoCenters4
Rotatable Bond3
Rings Closures6
Small Rings7
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms11
Symmetricatoms1
AcidicOxygens1
StereoConthis enantiomer

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