[4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C27H19N3O4BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C27H19N3O4BrCl
Smiles	O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C27H19BrClN3O4/c28-20-10-13-24(36-27(35)18-8-11-21(29)12-9-18)19(14-20)15-31-32-25(33)16-30-26(34)23-7-3-5-17-4-1-2-6-22(17)23/h1-15H,16H2,(H,30,34)(H,32,33)
InChIK	AYMLONIDKSYNNF-UHFFFAOYSA-N
TotalMolweight	564.822
Molweight	564.822
MonoisotopicMass	563.024745
CLogP	6.2414
CLogS	-8.134
H Acceptors	7
H Donors	2
TotalSurfaceArea	386.12
Relative PSA	0.21638
PolarSurfaceArea	96.86
Druglikeness	3.3116
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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