4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoate

Formula:C26H20N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[(2Z,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C26H20N3O4
Smiles	[O-]C(c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C/C=C/c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C26H21N3O4/c30-24(21-11-5-2-6-12-21)28-23(13-7-10-19-8-3-1-4-9-19)25(31)29-27-18-20-14-16-22(17-15-20)26(32)33/h1-18H,(H,28,30)(H,29,31)(H,32,33)/p-1
InChIK	VXJWYWRQWQCPLX-UHFFFAOYSA-M
TotalMolweight	438.462
Molweight	438.462
MonoisotopicMass	438.145382
CLogP	2.884
CLogS	-5.791
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.45
Relative PSA	0.2492
PolarSurfaceArea	110.69
Druglikeness	6.539
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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