5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one

Formula:C19H14NO4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one is a drug-like molecule.

MolName	5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
MolecularFormula	C19H14NO4Br
Smiles	C#CCN(C(C1(CC(/C=C/c2ccco2)=O)O)=O)c(cc2)c1cc2Br
InChI	InChI=1S/C19H14BrNO4/c1-2-9-21-17-8-5-13(20)11-16(17)19(24,18(21)23)12-14(22)6-7-15-4-3-10-25-15/h1,3-8,10-11,24H,9,12H2/t19-/m0/s1
InChIK	YWUVPEIBRJNLCD-IBGZPJMESA-N
TotalMolweight	400.227
Molweight	400.227
MonoisotopicMass	399.01062
CLogP	2.3637
CLogS	-4.721
H Acceptors	5
H Donors	1
TotalSurfaceArea	268.23
Relative PSA	0.21191
PolarSurfaceArea	70.75
Druglikeness	3.6433
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
StereoCon	racemate

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