[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Formula:C19H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
MolecularFormula	C19H14N2O5
Smiles	[O-][N+](c1c(/C=C/C(OCC(c2c[nH]c3c2cccc3)=O)=O)cccc1)=O
InChI	InChI=1S/C19H14N2O5/c22-18(15-11-20-16-7-3-2-6-14(15)16)12-26-19(23)10-9-13-5-1-4-8-17(13)21(24)25/h1-11,20H,12H2
InChIK	NIJKNKWQZWEVMX-UHFFFAOYSA-N
TotalMolweight	350.329
Molweight	350.329
MonoisotopicMass	350.090273
CLogP	1.9795
CLogS	-4.728
H Acceptors	7
H Donors	1
TotalSurfaceArea	266.62
Relative PSA	0.30189
PolarSurfaceArea	104.98
Druglikeness	-4.3442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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