3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6-bromochromen-2-one

Formula:C19H12N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6-bromochromen-2-one is not a drug-like molecule.

MolName	3-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]-6-bromochromen-2-one
MolecularFormula	C19H12N3O2BrS
Smiles	O=C1Oc(ccc(Br)c2)c2C=C1c1csc(N/N=C\c2ccccc2)n1
InChI	InChI=1S/C19H12BrN3O2S/c20-14-6-7-17-13(8-14)9-15(18(24)25-17)16-11-26-19(22-16)23-21-10-12-4-2-1-3-5-12/h1-11H,(H,22,23)
InChIK	OZJRFEAUNYUULH-UHFFFAOYSA-N
TotalMolweight	426.293
Molweight	426.293
MonoisotopicMass	424.983358
CLogP	6.3384
CLogS	-5.451
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.29
Relative PSA	0.27495
PolarSurfaceArea	91.82
Druglikeness	2.5435
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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