[4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C28H19N2O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C28H19N2O3ClS
Smiles	O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O
InChI	InChI=1S/C28H19ClN2O3S/c29-26-23-10-3-4-11-24(23)35-27(26)28(33)34-21-14-12-18(13-15-21)17-30-31-25(32)16-20-8-5-7-19-6-1-2-9-22(19)20/h1-15,17H,16H2,(H,31,32)
InChIK	KRPZAYMJCIHGJR-UHFFFAOYSA-N
TotalMolweight	498.989
Molweight	498.989
MonoisotopicMass	498.08049
CLogP	7.3518
CLogS	-8.847
H Acceptors	5
H Donors	1
TotalSurfaceArea	368.82
Relative PSA	0.21531
PolarSurfaceArea	96
Druglikeness	5.4345
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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