5-bromo-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one

Formula:C25H19NO3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one is not a drug-like molecule.

MolName	5-bromo-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
MolecularFormula	C25H19NO3BrCl
Smiles	OC(CC(/C=C/c1ccccc1)=O)(c(cc(cc1)Br)c1N1Cc(cccc2)c2Cl)C1=O
InChI	InChI=1S/C25H19BrClNO3/c26-19-11-13-23-21(14-19)25(31,15-20(29)12-10-17-6-2-1-3-7-17)24(30)28(23)16-18-8-4-5-9-22(18)27/h1-14,31H,15-16H2/t25-/m0/s1
InChIK	YOQSLMCCRJHOCC-VWLOTQADSA-N
TotalMolweight	496.787
Molweight	496.787
MonoisotopicMass	495.023682
CLogP	5.1719
CLogS	-6.474
H Acceptors	4
H Donors	1
TotalSurfaceArea	329.91
Relative PSA	0.12952
PolarSurfaceArea	57.61
Druglikeness	3.5674
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	racemate

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