N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

Formula:C22H16N4O3S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(4-nitrophenyl)methylideneamino]-4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
MolecularFormula	C22H16N4O3S
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(-c(cc3)ccc3Oc3ccccc3)cs2)cc1)=O
InChI	InChI=1S/C22H16N4O3S/c27-26(28)18-10-6-16(7-11-18)14-23-25-22-24-21(15-30-22)17-8-12-20(13-9-17)29-19-4-2-1-3-5-19/h1-15H,(H,24,25)
InChIK	REBOQTZLPMXZAA-UHFFFAOYSA-N
TotalMolweight	416.46
Molweight	416.46
MonoisotopicMass	416.094311
CLogP	6.52
CLogS	-7.417
H Acceptors	7
H Donors	1
TotalSurfaceArea	317.13
Relative PSA	0.29868
PolarSurfaceArea	120.57
Druglikeness	-1.3695
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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