[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

Formula:C33H26N2O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
MolecularFormula	C33H26N2O5
Smiles	O=C(COc(cc1)ccc1OCc1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O
InChI	InChI=1S/C33H26N2O5/c36-32(23-39-28-19-17-27(18-20-28)38-22-25-7-2-1-3-8-25)35-34-21-24-13-15-29(16-14-24)40-33(37)31-12-6-10-26-9-4-5-11-30(26)31/h1-21H,22-23H2,(H,35,36)
InChIK	KYDSYVLGCWCDEQ-UHFFFAOYSA-N
TotalMolweight	530.578
Molweight	530.578
MonoisotopicMass	530.184173
CLogP	6.7495
CLogS	-7.918
H Acceptors	7
H Donors	1
TotalSurfaceArea	416.38
Relative PSA	0.18985
PolarSurfaceArea	86.22
Druglikeness	3.9689
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.675
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	5
Symmetricatoms	6
StereoCon

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