4-(4-bromophenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Formula:C18H11NO4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-(4-bromophenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate is a drug-like molecule.

MolName	4-(4-bromophenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate
MolecularFormula	C18H11NO4BrS
Smiles	[O-]C(c1c(NC(/C=C/c2ccco2)=O)scc1-c(cc1)ccc1Br)=O
InChI	InChI=1S/C18H12BrNO4S/c19-12-5-3-11(4-6-12)14-10-25-17(16(14)18(22)23)20-15(21)8-7-13-2-1-9-24-13/h1-10H,(H,20,21)(H,22,23)/p-1
InChIK	DKDXOSZZKFDCTB-UHFFFAOYSA-M
TotalMolweight	417.258
Molweight	417.258
MonoisotopicMass	415.959215
CLogP	2.0925
CLogS	-6.163
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.03
Relative PSA	0.31036
PolarSurfaceArea	110.61
Druglikeness	-0.21238
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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