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

Formula:C27H20N3O4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C27H20N3O4Br
Smiles	O=C(CNC(c1cccc2ccccc12)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O
InChI	InChI=1S/C27H20BrN3O4/c28-21-13-14-24(35-27(34)19-8-2-1-3-9-19)20(15-21)16-30-31-25(32)17-29-26(33)23-12-6-10-18-7-4-5-11-22(18)23/h1-16H,17H2,(H,29,33)(H,31,32)
InChIK	NHHAGYBYFFJAIF-UHFFFAOYSA-N
TotalMolweight	530.377
Molweight	530.377
MonoisotopicMass	529.063718
CLogP	5.6354
CLogS	-7.398
H Acceptors	7
H Donors	2
TotalSurfaceArea	370.7
Relative PSA	0.22538
PolarSurfaceArea	96.86
Druglikeness	3.2631
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
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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