(E)-N-(1-adamantylmethyl)-3-(2-nitrophenyl)prop-2-enamide

Formula:C20H24N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(1-adamantylmethyl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(1-adamantylmethyl)-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C20H24N2O3
Smiles	[O-][N+](c1c(/C=C/C(NCC2(CC(C3)C4)CC4CC3C2)=O)cccc1)=O
InChI	InChI=1S/C20H24N2O3/c23-19(6-5-17-3-1-2-4-18(17)22(24)25)21-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-6,14-16H,7-13H2,(H,21,23)
InChIK	ZJNDRVDUICLRLU-UHFFFAOYSA-N
TotalMolweight	340.422
Molweight	340.422
MonoisotopicMass	340.178693
CLogP	2.8094
CLogS	-4.906
H Acceptors	5
H Donors	1
TotalSurfaceArea	256.37
Relative PSA	0.21422
PolarSurfaceArea	74.92
Druglikeness	-4.0984
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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