2-[(2Z)-2-benzylidenehydrazinyl]-5-bromo-1,3-thiazole-4-carboxylic acid

Formula:C11H8N3O2BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2Z)-2-benzylidenehydrazinyl]-5-bromo-1,3-thiazole-4-carboxylic acid is a drug-like molecule.

MolName	2-[(2Z)-2-benzylidenehydrazinyl]-5-bromo-1,3-thiazole-4-carboxylic acid
MolecularFormula	C11H8N3O2BrS
Smiles	OC(c(nc(N/N=C\c1ccccc1)s1)c1Br)=O
InChI	InChI=1S/C11H8BrN3O2S/c12-9-8(10(16)17)14-11(18-9)15-13-6-7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17)
InChIK	LCTZVWRZUVOPBK-UHFFFAOYSA-N
TotalMolweight	326.174
Molweight	326.174
MonoisotopicMass	324.952058
CLogP	4.7648
CLogS	-3.77
H Acceptors	5
H Donors	2
TotalSurfaceArea	206.67
Relative PSA	0.38922
PolarSurfaceArea	102.82
Druglikeness	0.86292
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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