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[4-[(Z)-[[2-benzyl-3-[(2Z)-2-[[4-(naphthalene-1-carbonyloxy)-3-nitrophenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]-2-nitrophenyl] naphthalene-1-carboxylate

Formula:C46H32N6O10 Mutagenic:low Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-benzyl-3-[(2Z)-2-[[4-(naphthalene-1-carbonyloxy)-3-nitrophenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]-2-nitrophenyl] naphthalene-1-carboxylate is not a drug-like molecule.
MolName[4-[(Z)-[[2-benzyl-3-[(2Z)-2-[[4-(naphthalene-1-carbonyloxy)-3-nitrophenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]-2-nitrophenyl] naphthalene-1-carboxylate
MolecularFormulaC46H32N6O10
Smiles[O-][N+](c(cc(/C=N\NC(C(Cc1ccccc1)C(N/N=C\c(cc1)cc([N+]([O-])=O)c1OC(c1cccc2ccccc12)=O)=O)=O)cc1)c1OC(c1cccc2ccccc12)=O)=O
InChIInChI=1S/C46H32N6O10/c53-43(49-47-27-30-20-22-41(39(25-30)51(57)58)61-45(55)36-18-8-14-32-12-4-6-16-34(32)36)38(24-29-10-2-1-3-11-29)44(54)50-48-28-31-21-23-42(40(26-31)52(59)60)62-46(56)37-19-9-15-33-13-5-7-17-35(33)37/h1-23,25-28,38H,24H2,(H,49,53)(H,50
InChIKALSJJVIEYZXEAS-UHFFFAOYSA-N
TotalMolweight828.792
Molweight828.792
MonoisotopicMass828.217994
CLogP8.0596
CLogS-12.755
H Acceptors16
H Donors2
TotalSurfaceArea618.54
Relative PSA0.28929
PolarSurfaceArea227.16
Druglikeness0.09108
Mutageniclow
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms62
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond16
Rings Closures7
Small Rings7
Aromatic Rings7
Aromatic Atoms38
Sp3Atoms6
Symmetricatoms29
AcidicOxygens2
StereoCon

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