(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

Formula:C18H12N4O4Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:low (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid is not a drug-like molecule.

MolName	(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
MolecularFormula	C18H12N4O4Cl2S
Smiles	[O-][N+](c1c(C/C(/C(O)=O)=N\Nc2nc(-c(cc3)cc(Cl)c3Cl)cs2)cccc1)=O
InChI	InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)
InChIK	KFRKRECSIYXARE-UHFFFAOYSA-N
TotalMolweight	451.289
Molweight	451.289
MonoisotopicMass	449.99563
CLogP	5.2877
CLogS	-6.168
H Acceptors	8
H Donors	2
TotalSurfaceArea	314.28
Relative PSA	0.35274
PolarSurfaceArea	148.64
Druglikeness	-2.3029
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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1 - (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid | 2 - (2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

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