(E)-1-chloro-1,1-difluoro-4-[2-(1H-indol-3-yl)ethylamino]but-3-en-2-one

Formula:C14H13N2OClF2 Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-1-chloro-1,1-difluoro-4-[2-(1H-indol-3-yl)ethylamino]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1-chloro-1,1-difluoro-4-[2-(1H-indol-3-yl)ethylamino]but-3-en-2-one
MolecularFormula	C14H13N2OClF2
Smiles	O=C(C(F)(F)Cl)/C=C/NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C14H13ClF2N2O/c15-14(16,17)13(20)6-8-18-7-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,6,8-9,18-19H,5,7H2
InChIK	YIEIJHQOFIBKCS-UHFFFAOYSA-N
TotalMolweight	298.719
Molweight	298.719
MonoisotopicMass	298.068446
CLogP	2.4668
CLogS	-4.244
H Acceptors	3
H Donors	2
TotalSurfaceArea	219.19
Relative PSA	0.1756
PolarSurfaceArea	44.89
Druglikeness	-19.748
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	3
Symmetricatoms	1
Aromatic Nitrogens	1
StereoCon

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