1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide

Formula:C27H21N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide is not a drug-like molecule.

MolName1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide
MolecularFormulaC27H21N5O6
SmilesOc(cc1)ccc1N(C(C(NN/C=C(\C=CC=C1)/C1=O)=O)=C1)C(C(NN/C=C(\C=CC=C2)/C2=O)=O)=CC1=O
InChIInChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,28-29,33H,(H,30,37)(H,31,38)
InChIKWBDSVRYVQGQEKD-UHFFFAOYSA-N
TotalMolweight511.493
Molweight511.493
MonoisotopicMass511.149185
CLogP-1.5579
CLogS-4.352
H Acceptors11
H Donors5
TotalSurfaceArea388.84
Relative PSA0.32839
PolarSurfaceArea156.94
Druglikeness5.4483
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Symmetricatoms16
StereoCon

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