(3Z)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]inden-1-one

Formula:C18H12N3OBrS Mutagenic:none Tumorigenic:high Reproductive Effective:none (3Z)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]inden-1-one is not a drug-like molecule.

MolName	(3Z)-3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]inden-1-one
MolecularFormula	C18H12N3OBrS
Smiles	O=C(C1)c(cccc2)c2/C1=N\Nc1nc(-c(cc2)ccc2Br)cs1
InChI	InChI=1S/C18H12BrN3OS/c19-12-7-5-11(6-8-12)16-10-24-18(20-16)22-21-15-9-17(23)14-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,20,22)
InChIK	NDGNQDUVPALVED-UHFFFAOYSA-N
TotalMolweight	398.283
Molweight	398.283
MonoisotopicMass	396.988443
CLogP	6.7215
CLogS	-6.354
H Acceptors	4
H Donors	1
TotalSurfaceArea	258.55
Relative PSA	0.26045
PolarSurfaceArea	82.59
Druglikeness	1.6384
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
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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