(E)-N-(1-adamantyl)-3-(4-nitrophenyl)prop-2-enamide

Formula:C19H22N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(1-adamantyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(1-adamantyl)-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C19H22N2O3
Smiles	[O-][N+](c1ccc(/C=C/C(NC2(CC(C3)C4)CC4CC3C2)=O)cc1)=O
InChI	InChI=1S/C19H22N2O3/c22-18(6-3-13-1-4-17(5-2-13)21(23)24)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-6,14-16H,7-12H2,(H,20,22)
InChIK	BRTHJLDZVJGXSI-UHFFFAOYSA-N
TotalMolweight	326.395
Molweight	326.395
MonoisotopicMass	326.163043
CLogP	2.5812
CLogS	-4.786
H Acceptors	5
H Donors	1
TotalSurfaceArea	242.61
Relative PSA	0.22637
PolarSurfaceArea	74.92
Druglikeness	-4.1634
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	8
Amides	1
AcidicOxygens	1
StereoCon

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