[4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Formula:C23H15N4O4BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
MolecularFormula	C23H15N4O4BrS
Smiles	[O-][N+](c1cccc(C(Oc2ccc(/C=N\Nc3nc(-c(cc4)ccc4Br)cs3)cc2)=O)c1)=O
InChI	InChI=1S/C23H15BrN4O4S/c24-18-8-6-16(7-9-18)21-14-33-23(26-21)27-25-13-15-4-10-20(11-5-15)32-22(29)17-2-1-3-19(12-17)28(30)31/h1-14H,(H,26,27)
InChIK	HCAUBAFYNQNNDJ-UHFFFAOYSA-N
TotalMolweight	523.366
Molweight	523.366
MonoisotopicMass	521.999737
CLogP	7.2801
CLogS	-7.424
H Acceptors	8
H Donors	1
TotalSurfaceArea	353.51
Relative PSA	0.30483
PolarSurfaceArea	137.64
Druglikeness	-3.2369
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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