[3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C26H19N3O5 Mutagenic:none Tumorigenic:high Reproductive Effective:none [3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.

MolName	[3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C26H19N3O5
Smiles	[O-][N+](c(cc1)ccc1C(Oc1cc(/C=N\NC(Cc2cccc3ccccc23)=O)ccc1)=O)=O
InChI	InChI=1S/C26H19N3O5/c30-25(16-21-8-4-7-19-6-1-2-10-24(19)21)28-27-17-18-5-3-9-23(15-18)34-26(31)20-11-13-22(14-12-20)29(32)33/h1-15,17H,16H2,(H,28,30)
InChIK	IICDYLGIUNZWBT-UHFFFAOYSA-N
TotalMolweight	453.453
Molweight	453.453
MonoisotopicMass	453.132472
CLogP	4.903
CLogS	-7.222
H Acceptors	8
H Donors	1
TotalSurfaceArea	346.53
Relative PSA	0.25819
PolarSurfaceArea	113.58
Druglikeness	-1.0276
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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