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

Formula:C23H16N2O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (1R,2R,6S,7S)-4-[(Z)-[5-[2-chloro-5-(trifluoromethyl)phenyl]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-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
MolecularFormulaC23H16N2O3ClF3
SmilesO=C([C@H]([C@@H]1C2=O)[C@@H]3C=C[C@H]1C31CC1)N2/N=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1
InChIInChI=1S/C23H16ClF3N2O3/c24-16-5-1-11(23(25,26)27)9-13(16)17-6-2-12(32-17)10-28-29-20(30)18-14-3-4-15(19(18)21(29)31)22(14)7-8-22/h1-6,9-10,14-15,18-19H,7-8H2/t14-,15-,18-,19+/m1/s1
InChIKYOOAFJXUWGCWJM-RGCFKVTRSA-N
TotalMolweight460.838
Molweight460.838
MonoisotopicMass460.080154
CLogP4.4393
CLogS-6.665
H Acceptors5
TotalSurfaceArea298.58
Relative PSA0.18504
PolarSurfaceArea62.88
Druglikeness0.18323
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
StereoCenters4
Rotatable Bond4
Rings Closures6
Small Rings7
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms8
Symmetricatoms3
StereoConthis enantiomer

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