(E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C15H15N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C15H15N2O3Br
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)cc(Br)c1O
InChI	InChI=1S/C15H15BrN2O3/c16-13-7-10(3-4-14(13)19)6-11(8-17)15(20)18-9-12-2-1-5-21-12/h3-4,6-7,12,19H,1-2,5,9H2,(H,18,20)/t12-/m1/s1
InChIK	RCSYYYXFQRUMBT-GFCCVEGCSA-N
TotalMolweight	351.199
Molweight	351.199
MonoisotopicMass	350.026604
CLogP	1.9589
CLogS	-3.486
H Acceptors	5
H Donors	2
TotalSurfaceArea	237.91
Relative PSA	0.25707
PolarSurfaceArea	82.35
Druglikeness	-4.3353
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	1
StereoCon	racemate

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