(5Z)-2-amino-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C14H10N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-2-amino-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-amino-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C14H10N4O3S
Smiles	NC(S/C1=C\c2cccn2-c(cc2)ccc2[N+]([O-])=O)=NC1=O
InChI	InChI=1S/C14H10N4O3S/c15-14-16-13(19)12(22-14)8-11-2-1-7-17(11)9-3-5-10(6-4-9)18(20)21/h1-8H,(H2,15,16,19)
InChIK	WIXHPRFJYXUIND-UHFFFAOYSA-N
TotalMolweight	314.324
Molweight	314.324
MonoisotopicMass	314.047361
CLogP	0.2563
CLogS	-6.086
H Acceptors	7
H Donors	1
TotalSurfaceArea	223.83
Relative PSA	0.42264
PolarSurfaceArea	131.5
Druglikeness	-1.872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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