(2S)-2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate

Formula:C13H12N2O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (2S)-2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate is a drug-like molecule.

MolName	(2S)-2-[(2-chloroacetyl)amino]-3-(1H-indol-3-yl)propanoate
MolecularFormula	C13H12N2O3Cl
Smiles	[O-]C([C@H](Cc1c[nH]c2c1cccc2)NC(CCl)=O)=O
InChI	InChI=1S/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)/p-1/t11-/m0/s1
InChIK	PGTJUXHMJYBSBW-NSHDSACASA-M
TotalMolweight	279.702
Molweight	279.702
MonoisotopicMass	279.053645
CLogP	-1.2215
CLogS	-2.665
H Acceptors	5
H Donors	2
TotalSurfaceArea	207.36
Relative PSA	0.31737
PolarSurfaceArea	85.02
Druglikeness	3.5228
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	this enantiomer

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