2-[(E)-3-(2,5-dichloroanilino)-1-hydroxyprop-2-enylidene]cyclohexane-1,3-dione

Formula:C15H13NO3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 2-[(E)-3-(2,5-dichloroanilino)-1-hydroxyprop-2-enylidene]cyclohexane-1,3-dione is a drug-like molecule.

MolName	2-[(E)-3-(2,5-dichloroanilino)-1-hydroxyprop-2-enylidene]cyclohexane-1,3-dione
MolecularFormula	C15H13NO3Cl2
Smiles	OC(/C=C/Nc(cc(cc1)Cl)c1Cl)=C(C(CCC1)=O)C1=O
InChI	InChI=1S/C15H13Cl2NO3/c16-9-4-5-10(17)11(8-9)18-7-6-14(21)15-12(19)2-1-3-13(15)20/h4-8,18,21H,1-3H2
InChIK	RDIIESZQGQZAFF-UHFFFAOYSA-N
TotalMolweight	326.178
Molweight	326.178
MonoisotopicMass	325.027248
CLogP	3.255
CLogS	-4.509
H Acceptors	4
H Donors	2
TotalSurfaceArea	234.61
Relative PSA	0.21585
PolarSurfaceArea	66.4
Druglikeness	-4.0635
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	3
StereoCon

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1 - 2-[(E)-3-(2,5-dichloroanilino)-1-hydroxyprop-2-enylidene]cyclohexane-1,3-dione | 2 - 2-[(E)-3-(2,5-dichloroanilino)-1-hydroxyprop-2-enylidene]cyclohexane-1,3-dione

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