[3-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C27H21N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none [3-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C27H21N3O5
Smiles	O=C(CNc1cccc2ccccc12)N/N=C\c1cccc(OC(c(cc2)cc3c2OCO3)=O)c1
InChI	InChI=1S/C27H21N3O5/c31-26(16-28-23-10-4-7-19-6-1-2-9-22(19)23)30-29-15-18-5-3-8-21(13-18)35-27(32)20-11-12-24-25(14-20)34-17-33-24/h1-15,28H,16-17H2,(H,30,31)
InChIK	ARHQLGMMMJREOY-UHFFFAOYSA-N
TotalMolweight	467.48
Molweight	467.48
MonoisotopicMass	467.148122
CLogP	5.2298
CLogS	-7.33
H Acceptors	8
H Donors	2
TotalSurfaceArea	354.58
Relative PSA	0.25526
PolarSurfaceArea	98.25
Druglikeness	4.635
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Amines	1
Aromatic Amines	1
StereoCon

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