N-[(E)-(3-bromophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

Formula:C16H11N4O2BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-(3-bromophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName	N-[(E)-(3-bromophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
MolecularFormula	C16H11N4O2BrS
Smiles	[O-][N+](c1cccc(-c2csc(N/N=C/c3cccc(Br)c3)n2)c1)=O
InChI	InChI=1S/C16H11BrN4O2S/c17-13-5-1-3-11(7-13)9-18-20-16-19-15(10-24-16)12-4-2-6-14(8-12)21(22)23/h1-10H,(H,19,20)
InChIK	PJABZBUFAQDZJY-UHFFFAOYSA-N
TotalMolweight	403.259
Molweight	403.259
MonoisotopicMass	401.978607
CLogP	5.8496
CLogS	-5.954
H Acceptors	6
H Donors	1
TotalSurfaceArea	266
Relative PSA	0.3185
PolarSurfaceArea	111.34
Druglikeness	-3.0748
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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