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

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

MolName	[4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C27H19N3O4BrCl
Smiles	O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C27H19BrClN3O4/c28-19-12-13-24(36-27(35)22-9-3-4-11-23(22)29)18(14-19)15-31-32-25(33)16-30-26(34)21-10-5-7-17-6-1-2-8-20(17)21/h1-15H,16H2,(H,30,34)(H,32,33)
InChIK	DJIMSAVNWSEYRL-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	0.55556
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
Amides	1
StereoCon

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

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