(E)-N-(2-bromophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Formula:C21H15N4OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-bromophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromophenyl)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide
MolecularFormula	C21H15N4OBr
Smiles	N#CCCn1c(cccc2)c2c(/C=C(/C(Nc(cccc2)c2Br)=O)\C#N)c1
InChI	InChI=1S/C21H15BrN4O/c22-18-7-2-3-8-19(18)25-21(27)15(13-24)12-16-14-26(11-5-10-23)20-9-4-1-6-17(16)20/h1-4,6-9,12,14H,5,11H2,(H,25,27)
InChIK	ZXQZSLNAXODMSD-UHFFFAOYSA-N
TotalMolweight	419.281
Molweight	419.281
MonoisotopicMass	418.042922
CLogP	3.8417
CLogS	-5.215
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.31
Relative PSA	0.19477
PolarSurfaceArea	81.61
Druglikeness	-4.6821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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