[4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C26H18N3O5Br Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C26H18N3O5Br
Smiles	[O-][N+](c(cc1)ccc1C(Oc1ccc(/C=N\NC(Cc(c2ccccc22)ccc2Br)=O)cc1)=O)=O
InChI	InChI=1S/C26H18BrN3O5/c27-24-14-9-19(22-3-1-2-4-23(22)24)15-25(31)29-28-16-17-5-12-21(13-6-17)35-26(32)18-7-10-20(11-8-18)30(33)34/h1-14,16H,15H2,(H,29,31)
InChIK	ZCWCAURYVLUEEU-UHFFFAOYSA-N
TotalMolweight	532.349
Molweight	532.349
MonoisotopicMass	531.042983
CLogP	5.6282
CLogS	-8.056
H Acceptors	8
H Donors	1
TotalSurfaceArea	365.16
Relative PSA	0.24502
PolarSurfaceArea	113.58
Druglikeness	-2.8176
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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