(E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one

Formula:C19H19N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one
MolecularFormula	C19H19N3O4
Smiles	[O-][N+](c(cc1)cc(/C=C/C(N(CCCC2)C2c2cnccc2)=O)c1O)=O
InChI	InChI=1S/C19H19N3O4/c23-18-8-7-16(22(25)26)12-14(18)6-9-19(24)21-11-2-1-5-17(21)15-4-3-10-20-13-15/h3-4,6-10,12-13,17,23H,1-2,5,11H2/t17-/m0/s1
InChIK	YMDRYUYZFIPCEV-KRWDZBQOSA-N
TotalMolweight	353.377
Molweight	353.377
MonoisotopicMass	353.137557
CLogP	2.0751
CLogS	-3.048
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.39
Relative PSA	0.26288
PolarSurfaceArea	99.25
Druglikeness	-5.0914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one | 2 - (E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one

Request More Details | (E)-3-(2-hydroxy-5-nitrophenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments