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

Formula:C19H15NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
MolecularFormula	C19H15NO4
Smiles	C#CCN(C(C1(CC(/C=C/c2ccco2)=O)O)=O)c2c1cccc2
InChI	InChI=1S/C19H15NO4/c1-2-11-20-17-8-4-3-7-16(17)19(23,18(20)22)13-14(21)9-10-15-6-5-12-24-15/h1,3-10,12,23H,11,13H2/t19-/m0/s1
InChIK	CTDMJCVOLHIQFS-IBGZPJMESA-N
TotalMolweight	321.331
Molweight	321.331
MonoisotopicMass	321.100109
CLogP	1.6385
CLogS	-3.887
H Acceptors	5
H Donors	1
TotalSurfaceArea	249.6
Relative PSA	0.22772
PolarSurfaceArea	70.75
Druglikeness	5.4333
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
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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