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4-[[4-hydroxy-3-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenyl]methyl]-2-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenol

Formula:C31H24N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-hydroxy-3-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenyl]methyl]-2-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenol is not a drug-like molecule.
MolName4-[[4-hydroxy-3-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenyl]methyl]-2-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]phenol
MolecularFormulaC31H24N4O6
Smiles[O-][N+](c1c(/C=C/C=N/c(cc(Cc(cc2)cc(/N=C/C=C/c(cccc3)c3[N+]([O-])=O)c2O)cc2)c2O)cccc1)=O
InChIInChI=1S/C31H24N4O6/c36-30-15-13-22(20-26(30)32-17-5-9-24-7-1-3-11-28(24)34(38)39)19-23-14-16-31(37)27(21-23)33-18-6-10-25-8-2-4-12-29(25)35(40)41/h1-18,20-21,36-37H,19H2
InChIKVXNJTOKWPWBPNJ-UHFFFAOYSA-N
TotalMolweight548.554
Molweight548.554
MonoisotopicMass548.169586
CLogP3.7251
CLogS-7.323
H Acceptors10
H Donors2
TotalSurfaceArea428.86
Relative PSA0.25663
PolarSurfaceArea156.82
Druglikeness-5.4535
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.56098
Fragments1
Non HAtoms41
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms20
AcidicOxygens2
StereoCon

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