4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C21H17N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C21H17N2O3Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c1ccccc1)NCc1ccco1
InChI	InChI=1S/C21H17BrN2O3/c22-17-10-8-16(9-11-17)20(25)24-19(13-15-5-2-1-3-6-15)21(26)23-14-18-7-4-12-27-18/h1-13H,14H2,(H,23,26)(H,24,25)
InChIK	JWWIUUUKXQATBP-UHFFFAOYSA-N
TotalMolweight	425.281
Molweight	425.281
MonoisotopicMass	424.042254
CLogP	4.0471
CLogS	-5.205
H Acceptors	5
H Donors	2
TotalSurfaceArea	297.99
Relative PSA	0.21179
PolarSurfaceArea	71.34
Druglikeness	1.33
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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