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

Formula:C27H23N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(Z)-[[(2E,4E)-2-benzamido-5-phenylpenta-2,4-dienoyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C27H23N3O5
Smiles	OC(COc1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\C=C\c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C27H23N3O5/c31-25(32)19-35-23-16-14-21(15-17-23)18-28-30-27(34)24(13-7-10-20-8-3-1-4-9-20)29-26(33)22-11-5-2-6-12-22/h1-18H,19H2,(H,29,33)(H,30,34)(H,31,32)
InChIK	XSKMWTAYFDOMOC-UHFFFAOYSA-N
TotalMolweight	469.496
Molweight	469.496
MonoisotopicMass	469.163772
CLogP	4.5349
CLogS	-5.571
H Acceptors	8
H Donors	3
TotalSurfaceArea	375.03
Relative PSA	0.25771
PolarSurfaceArea	117.09
Druglikeness	6.4782
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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