(E)-N-[(4-chlorophenyl)methyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide

Formula:C22H19N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(4-chlorophenyl)methyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(4-chlorophenyl)methyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide
MolecularFormula	C22H19N2O2Cl
Smiles	O=C(/C=C/C1=Cc(cccc2CCC3)c2N3C1=O)NCc(cc1)ccc1Cl
InChI	InChI=1S/C22H19ClN2O2/c23-19-9-6-15(7-10-19)14-24-20(26)11-8-18-13-17-4-1-3-16-5-2-12-25(21(16)17)22(18)27/h1,3-4,6-11,13H,2,5,12,14H2,(H,24,26)
InChIK	KTJMQIGLYBPCGZ-UHFFFAOYSA-N
TotalMolweight	378.858
Molweight	378.858
MonoisotopicMass	378.113505
CLogP	3.6917
CLogS	-4.969
H Acceptors	4
H Donors	1
TotalSurfaceArea	284.95
Relative PSA	0.1442
PolarSurfaceArea	49.41
Druglikeness	2.5993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
StereoCon

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1 - (E)-N-[(4-chlorophenyl)methyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide | 2 - (E)-N-[(4-chlorophenyl)methyl]-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enamide

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