5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one

Formula:C23H18NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one is a drug-like molecule.

MolName	5-bromo-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-prop-2-ynylindol-2-one
MolecularFormula	C23H18NO3Br
Smiles	C#CCN(C(C1(CC(/C=C/C=C/c2ccccc2)=O)O)=O)c(cc2)c1cc2Br
InChI	InChI=1S/C23H18BrNO3/c1-2-14-25-21-13-12-18(24)15-20(21)23(28,22(25)27)16-19(26)11-7-6-10-17-8-4-3-5-9-17/h1,3-13,15,28H,14,16H2/t23-/m0/s1
InChIK	HBTYZSWKAYJNKB-QHCPKHFHSA-N
TotalMolweight	436.304
Molweight	436.304
MonoisotopicMass	435.047005
CLogP	3.8316
CLogS	-5.351
H Acceptors	4
H Donors	1
TotalSurfaceArea	305.04
Relative PSA	0.14008
PolarSurfaceArea	57.61
Druglikeness	3.6988
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	racemate

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