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(8R)-6-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Formula:C21H16N5O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (8R)-6-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
MolName(8R)-6-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
MolecularFormulaC21H16N5O4Cl
Smiles[O-][N+](c(cc1)cc(/C=N\N(CC(N(C2)[C@@H]3Cc4c2[nH]c2c4cccc2)=O)C3=O)c1Cl)=O
InChIInChI=1S/C21H16ClN5O4/c22-16-6-5-13(27(30)31)7-12(16)9-23-26-11-20(28)25-10-18-15(8-19(25)21(26)29)14-3-1-2-4-17(14)24-18/h1-7,9,19,24H,8,10-11H2/t19-/m1/s1
InChIKXSQJFSNARDFHRB-LJQANCHMSA-N
TotalMolweight437.842
Molweight437.842
MonoisotopicMass437.089082
CLogP1.4989
CLogS-4.792
H Acceptors9
H Donors1
TotalSurfaceArea303.92
Relative PSA0.29317
PolarSurfaceArea114.59
Druglikeness2.4703
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms10
Electronegative Atoms10
StereoCenters1
Rotatable Bond3
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms5
Amides1
Aromatic Nitrogens1
AcidicOxygens1
StereoConthis enantiomer

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