N-[(E)-1-(3-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C16H15N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(3-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(3-bromophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C16H15N2O4Br
Smiles	OCCNC(/C(/NC(c1ccco1)=O)=C\c1cccc(Br)c1)=O
InChI	InChI=1S/C16H15BrN2O4/c17-12-4-1-3-11(9-12)10-13(15(21)18-6-7-20)19-16(22)14-5-2-8-23-14/h1-5,8-10,20H,6-7H2,(H,18,21)(H,19,22)
InChIK	VOASREZZMUJXMV-UHFFFAOYSA-N
TotalMolweight	379.209
Molweight	379.209
MonoisotopicMass	378.021519
CLogP	2.1086
CLogS	-3.675
H Acceptors	6
H Donors	3
TotalSurfaceArea	258.34
Relative PSA	0.295
PolarSurfaceArea	91.57
Druglikeness	1.5984
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	2
StereoCon

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