(E)-4-oxo-4-[(2,5,7-trichloro-9-hydroxy-9H-fluoren-4-yl)amino]but-2-enoic acid

Formula:C17H10NO4Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-4-oxo-4-[(2,5,7-trichloro-9-hydroxy-9H-fluoren-4-yl)amino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[(2,5,7-trichloro-9-hydroxy-9H-fluoren-4-yl)amino]but-2-enoic acid
MolecularFormula	C17H10NO4Cl3
Smiles	OC(c1cc(Cl)c2)c3cc(Cl)cc(Cl)c3-c1c2NC(/C=C/C(O)=O)=O
InChI	InChI=1S/C17H10Cl3NO4/c18-7-3-9-15(11(20)5-7)16-10(17(9)25)4-8(19)6-12(16)21-13(22)1-2-14(23)24/h1-6,17,25H,(H,21,22)(H,23,24)/t17-/m0/s1
InChIK	NSEQOOYWMFLASW-KRWDZBQOSA-N
TotalMolweight	398.628
Molweight	398.628
MonoisotopicMass	396.96754
CLogP	3.8541
CLogS	-6.097
H Acceptors	5
H Donors	3
TotalSurfaceArea	264.44
Relative PSA	0.24104
PolarSurfaceArea	86.63
Druglikeness	1.4544
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon	racemate

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1 - (E)-4-oxo-4-[(2,5,7-trichloro-9-hydroxy-9H-fluoren-4-yl)amino]but-2-enoic acid | 2 - (E)-4-oxo-4-[(2,5,7-trichloro-9-hydroxy-9H-fluoren-4-yl)amino]but-2-enoic acid

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