(3R)-5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one

Formula:C20H16NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (3R)-5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one is a drug-like molecule.

MolName	(3R)-5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
MolecularFormula	C20H16NO3Br
Smiles	O[C@](CC(/C=C/C=C/c1ccccc1)=O)(c(cc(cc1)Br)c1N1)C1=O
InChI	InChI=1S/C20H16BrNO3/c21-15-10-11-18-17(12-15)20(25,19(24)22-18)13-16(23)9-5-4-8-14-6-2-1-3-7-14/h1-12,25H,13H2,(H,22,24)/t20-/m1/s1
InChIK	CQIGURIVHUVBSH-HXUWFJFHSA-N
TotalMolweight	398.255
Molweight	398.255
MonoisotopicMass	397.031355
CLogP	3.4461
CLogS	-4.751
H Acceptors	4
H Donors	2
TotalSurfaceArea	268.63
Relative PSA	0.18851
PolarSurfaceArea	66.4
Druglikeness	2.4301
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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