4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]benzoate

Formula:C16H12N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C16H12N2O4Br
Smiles	[O-]C(c1ccc(/C=N\NC(COc2cccc(Br)c2)=O)cc1)=O
InChI	InChI=1S/C16H13BrN2O4/c17-13-2-1-3-14(8-13)23-10-15(20)19-18-9-11-4-6-12(7-5-11)16(21)22/h1-9H,10H2,(H,19,20)(H,21,22)/p-1
InChIK	WJHOFXZNGXDOON-UHFFFAOYSA-M
TotalMolweight	376.185
Molweight	376.185
MonoisotopicMass	374.998044
CLogP	0.9108
CLogS	-4.348
H Acceptors	6
H Donors	1
TotalSurfaceArea	254.66
Relative PSA	0.28795
PolarSurfaceArea	90.82
Druglikeness	2.4564
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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