(E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide

Formula:C20H20N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-chloro-2-piperidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C20H20N3O3Cl
Smiles	[O-][N+](c1cccc(/C=C/C(Nc2cccc(Cl)c2N2CCCCC2)=O)c1)=O
InChI	InChI=1S/C20H20ClN3O3/c21-17-8-5-9-18(20(17)23-12-2-1-3-13-23)22-19(25)11-10-15-6-4-7-16(14-15)24(26)27/h4-11,14H,1-3,12-13H2,(H,22,25)
InChIK	YUMUORYRVBLAHP-UHFFFAOYSA-N
TotalMolweight	385.85
Molweight	385.85
MonoisotopicMass	385.119319
CLogP	3.6537
CLogS	-5.686
H Acceptors	6
H Donors	1
TotalSurfaceArea	293.42
Relative PSA	0.19927
PolarSurfaceArea	78.16
Druglikeness	-4.8512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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