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2-chloro-5-[5-[(Z)-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]furan-2-yl]benzoate

Formula:C23H16N2O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloro-5-[5-[(Z)-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]furan-2-yl]benzoate is a drug-like molecule.
MolName2-chloro-5-[5-[(Z)-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]furan-2-yl]benzoate
MolecularFormulaC23H16N2O5Cl
Smiles[O-]C(c(cc(cc1)-c2ccc(/C=N\N(C([C@H]3[C@H]([C@H]4[C@@H]5C4)C=C[C@H]5[C@@H]33)=O)C3=O)o2)c1Cl)=O
InChIInChI=1S/C23H17ClN2O5/c24-17-5-1-10(7-16(17)23(29)30)18-6-2-11(31-18)9-25-26-21(27)19-12-3-4-13(15-8-14(12)15)20(19)22(26)28/h1-7,9,12-15,19-20H,8H2,(H,29,30)/p-1/t12-,13+,14-,15-,19+,20-/m0/s1
InChIKGFXHOXSPAONPJO-RBTUGDOASA-M
TotalMolweight435.842
Molweight435.842
MonoisotopicMass435.074775
CLogP0.9379
CLogS-5.883
H Acceptors7
TotalSurfaceArea295.23
Relative PSA0.27968
PolarSurfaceArea103.01
Druglikeness7.3682
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
AcidicOxygens1
StereoConthis enantiomer

Request More Details | 2-chloro-5-[5-[(Z)-[(1S,2S,6R,7R,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]iminomethyl]furan-2-yl]benzoate


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