2-[2-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]phenoxy]acetic acid

Formula:C24H25N3O3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[2-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]phenoxy]acetic acid
MolecularFormula	C24H25N3O3
Smiles	OC(COc1c(/C=N\N2CCN(Cc3cccc4ccccc34)CC2)cccc1)=O
InChI	InChI=1S/C24H25N3O3/c28-24(29)18-30-23-11-4-2-7-20(23)16-25-27-14-12-26(13-15-27)17-21-9-5-8-19-6-1-3-10-22(19)21/h1-11,16H,12-15,17-18H2,(H,28,29)
InChIK	HMDDNEYOGWFUOB-UHFFFAOYSA-N
TotalMolweight	403.481
Molweight	403.481
MonoisotopicMass	403.189592
CLogP	2.3469
CLogS	-4.055
H Acceptors	6
H Donors	1
TotalSurfaceArea	316.14
Relative PSA	0.17318
PolarSurfaceArea	65.37
Druglikeness	6.3642
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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