N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide

Formula:C20H15N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
MolecularFormula	C20H15N2O3Br
Smiles	O=C(/C=C/c(cc1)ccc1Br)Nc1cc(NC(c2ccco2)=O)ccc1
InChI	InChI=1S/C20H15BrN2O3/c21-15-9-6-14(7-10-15)8-11-19(24)22-16-3-1-4-17(13-16)23-20(25)18-5-2-12-26-18/h1-13H,(H,22,24)(H,23,25)
InChIK	WQGBAWJFRHOSPY-UHFFFAOYSA-N
TotalMolweight	411.254
Molweight	411.254
MonoisotopicMass	410.026604
CLogP	4.1977
CLogS	-5.526
H Acceptors	5
H Donors	2
TotalSurfaceArea	286.02
Relative PSA	0.22065
PolarSurfaceArea	71.34
Druglikeness	-1.7459
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	2
StereoCon

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