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

Formula:C23H14N4O4Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
MolecularFormula	C23H14N4O4Cl2S
Smiles	[O-][N+](c1cccc(C(Oc2ccc(/C=N\Nc3nc(-c(ccc(Cl)c4)c4Cl)cs3)cc2)=O)c1)=O
InChI	InChI=1S/C23H14Cl2N4O4S/c24-16-6-9-19(20(25)11-16)21-13-34-23(27-21)28-26-12-14-4-7-18(8-5-14)33-22(30)15-2-1-3-17(10-15)29(31)32/h1-13H,(H,27,28)
InChIK	QWBFOIHDPRGAIB-UHFFFAOYSA-N
TotalMolweight	513.36
Molweight	513.36
MonoisotopicMass	512.01128
CLogP	7.7669
CLogS	-8.062
H Acceptors	8
H Donors	1
TotalSurfaceArea	365.72
Relative PSA	0.29465
PolarSurfaceArea	137.64
Druglikeness	-1.3843
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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