4-bromo-N-[(E)-1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide

Formula:C16H15N2O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C16H15N2O4Br
Smiles	OCCNC(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccco1)=O
InChI	InChI=1S/C16H15BrN2O4/c17-12-5-3-11(4-6-12)15(21)19-14(16(22)18-7-8-20)10-13-2-1-9-23-13/h1-6,9-10,20H,7-8H2,(H,18,22)(H,19,21)
InChIK	NEPNPJUBRBUMDN-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	1.4525
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
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
Symmetricatoms	2
Amides	2
StereoCon

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