[1-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate

Formula:C31H22N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[1-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
MolecularFormula	C31H22N3O4Cl
Smiles	O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C31H22ClN3O4/c32-23-15-12-22(13-16-23)31(38)39-28-17-14-21-7-2-4-10-25(21)27(28)18-34-35-29(36)19-33-30(37)26-11-5-8-20-6-1-3-9-24(20)26/h1-18H,19H2,(H,33,37)(H,35,36)
InChIK	DTFVAVRPEUFDSL-UHFFFAOYSA-N
TotalMolweight	535.986
Molweight	535.986
MonoisotopicMass	535.129884
CLogP	6.7106
CLogS	-8.906
H Acceptors	7
H Donors	2
TotalSurfaceArea	402.09
Relative PSA	0.20779
PolarSurfaceArea	96.86
Druglikeness	5.1016
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53846
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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