(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Formula:C20H17N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
MolecularFormula	C20H17N3O5
Smiles	[O-][N+](c1c(/C=C/C(NCCc2c[nH]c3c2cccc3)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C20H17N3O5/c24-20(21-8-7-14-11-22-16-4-2-1-3-15(14)16)6-5-13-9-18-19(28-12-27-18)10-17(13)23(25)26/h1-6,9-11,22H,7-8,12H2,(H,21,24)
InChIK	JJWOLLVCRHIMLN-UHFFFAOYSA-N
TotalMolweight	379.371
Molweight	379.371
MonoisotopicMass	379.116822
CLogP	2.505
CLogS	-5.122
H Acceptors	8
H Donors	2
TotalSurfaceArea	284.35
Relative PSA	0.31268
PolarSurfaceArea	109.17
Druglikeness	-4.2138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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