2-[2-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C21H17N2O4Br Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[2-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C21H17N2O4Br
Smiles	OC(COc1c(/C=N\NC(Cc(c2ccccc22)ccc2Br)=O)cccc1)=O
InChI	InChI=1S/C21H17BrN2O4/c22-18-10-9-14(16-6-2-3-7-17(16)18)11-20(25)24-23-12-15-5-1-4-8-19(15)28-13-21(26)27/h1-10,12H,11,13H2,(H,24,25)(H,26,27)
InChIK	TWCBYANHVINUMV-UHFFFAOYSA-N
TotalMolweight	441.28
Molweight	441.28
MonoisotopicMass	440.037169
CLogP	4.1793
CLogS	-5.919
H Acceptors	6
H Donors	2
TotalSurfaceArea	301.84
Relative PSA	0.23903
PolarSurfaceArea	87.99
Druglikeness	2.4546
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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