[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C21H15N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate is a drug-like molecule.

MolName	[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C21H15N2O5Br
Smiles	Oc(cc1)cc(O)c1C(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O)=O
InChI	InChI=1S/C21H15BrN2O5/c22-18-4-2-1-3-16(18)21(28)29-15-8-5-13(6-9-15)12-23-24-20(27)17-10-7-14(25)11-19(17)26/h1-12,25-26H,(H,24,27)
InChIK	ZKOSEWHQZXPXDN-UHFFFAOYSA-N
TotalMolweight	455.263
Molweight	455.263
MonoisotopicMass	454.016434
CLogP	4.6659
CLogS	-5.433
H Acceptors	7
H Donors	3
TotalSurfaceArea	305.83
Relative PSA	0.27875
PolarSurfaceArea	108.22
Druglikeness	2.2078
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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