[1-[(Z)-[2-(4-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate

Formula:C31H19N2O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-[2-(4-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate is not a drug-like molecule.

MolName	[1-[(Z)-[2-(4-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
MolecularFormula	C31H19N2O3BrS
Smiles	O=C(c1cccc2ccccc12)Oc1c(/C=C2\SC(Nc(cc3)ccc3Br)=NC2=O)c2ccccc2cc1
InChI	InChI=1S/C31H19BrN2O3S/c32-21-13-15-22(16-14-21)33-31-34-29(35)28(38-31)18-26-24-10-4-2-7-20(24)12-17-27(26)37-30(36)25-11-5-8-19-6-1-3-9-23(19)25/h1-18H,(H,33,34,35)
InChIK	BYTNOHSCPNPMAI-UHFFFAOYSA-N
TotalMolweight	579.473
Molweight	579.473
MonoisotopicMass	578.029974
CLogP	7.6027
CLogS	-10.228
H Acceptors	5
H Donors	1
TotalSurfaceArea	389.24
Relative PSA	0.19664
PolarSurfaceArea	93.06
Druglikeness	0.57732
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - [1-[(Z)-[2-(4-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate | 2 - [1-[(Z)-[2-(4-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate

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