(Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Formula:C21H16N3O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
MolecularFormula	C21H16N3O3Cl
Smiles	N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C21H16ClN3O3/c22-17-9-20-19(27-12-28-20)8-14(17)7-15(10-23)21(26)24-6-5-13-11-25-18-4-2-1-3-16(13)18/h1-4,7-9,11,25H,5-6,12H2,(H,24,26)
InChIK	RHCOAQCHWCUWPD-UHFFFAOYSA-N
TotalMolweight	393.829
Molweight	393.829
MonoisotopicMass	393.088019
CLogP	3.8846
CLogS	-5.67
H Acceptors	6
H Donors	2
TotalSurfaceArea	296.02
Relative PSA	0.2434
PolarSurfaceArea	87.14
Druglikeness	-0.95327
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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