[(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 4-chloro-3-nitrobenzoate

Formula:C18H10N4O5Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 4-chloro-3-nitrobenzoate is a drug-like molecule.

MolName	[(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 4-chloro-3-nitrobenzoate
MolecularFormula	C18H10N4O5Cl2S
Smiles	NC(/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N/OC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)=O
InChI	InChI=1S/C18H10Cl2N4O5S/c19-11-4-1-9(2-5-11)13-8-30-17(22-13)15(16(21)25)23-29-18(26)10-3-6-12(20)14(7-10)24(27)28/h1-8H,(H2,21,25)
InChIK	IGLFMHSPWJKJIG-UHFFFAOYSA-N
TotalMolweight	465.272
Molweight	465.272
MonoisotopicMass	463.974895
CLogP	3.0526
CLogS	-6.422
H Acceptors	9
H Donors	1
TotalSurfaceArea	318.98
Relative PSA	0.39065
PolarSurfaceArea	168.7
Druglikeness	-3.3298
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 4-chloro-3-nitrobenzoate | 2 - [(Z)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 4-chloro-3-nitrobenzoate

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