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(1R,2R,6S,7S,8S,10R)-4-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione

Formula:C23H17N2O3F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (1R,2R,6S,7S,8S,10R)-4-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione is a drug-like molecule.
MolName(1R,2R,6S,7S,8S,10R)-4-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
MolecularFormulaC23H17N2O3F3
SmilesO=C([C@H]1[C@H]([C@@H]2[C@H]3C2)C=C[C@H]3[C@H]1C1=O)N1/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C23H17F3N2O3/c24-23(25,26)12-3-1-2-11(8-12)18-7-4-13(31-18)10-27-28-21(29)19-14-5-6-15(17-9-16(14)17)20(19)22(28)30/h1-8,10,14-17,19-20H,9H2/t14-,15+,16-,17-,19+,20-/m1/s1
InChIKRVDYFDAXNLKYJU-GHSJJHLASA-N
TotalMolweight426.393
Molweight426.393
MonoisotopicMass426.119127
CLogP3.7711
CLogS-5.912
H Acceptors5
TotalSurfaceArea283.99
Relative PSA0.19455
PolarSurfaceArea62.88
Druglikeness0.093132
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
StereoCenters6
Rotatable Bond4
Rings Closures6
Small Rings9
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms8
Symmetricatoms2
StereoConthis enantiomer

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