5-chloro-1-[(4-chlorophenyl)methyl]-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one

Formula:C23H17NO4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-chloro-1-[(4-chlorophenyl)methyl]-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one is a drug-like molecule.

MolName	5-chloro-1-[(4-chlorophenyl)methyl]-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
MolecularFormula	C23H17NO4Cl2
Smiles	OC(CC(/C=C/c1ccco1)=O)(c(cc(cc1)Cl)c1N1Cc(cc2)ccc2Cl)C1=O
InChI	InChI=1S/C23H17Cl2NO4/c24-16-5-3-15(4-6-16)14-26-21-10-7-17(25)12-20(21)23(29,22(26)28)13-18(27)8-9-19-2-1-11-30-19/h1-12,29H,13-14H2/t23-/m0/s1
InChIK	STAQIVISCRLDLB-QHCPKHFHSA-N
TotalMolweight	442.297
Molweight	442.297
MonoisotopicMass	441.053463
CLogP	4.2414
CLogS	-6.058
H Acceptors	5
H Donors	1
TotalSurfaceArea	316.39
Relative PSA	0.17965
PolarSurfaceArea	70.75
Druglikeness	5.4416
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	racemate

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