1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone

Formula:C26H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone is a drug-like molecule.

MolName	1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone
MolecularFormula	C26H20N4O4
Smiles	[O-][N+](c1ncccc1OCC(N1NC(c2cc3ccccc3cc2)=C[C@@H]1c1ccccc1)=O)=O
InChI	InChI=1S/C26H20N4O4/c31-25(17-34-24-11-6-14-27-26(24)30(32)33)29-23(19-8-2-1-3-9-19)16-22(28-29)21-13-12-18-7-4-5-10-20(18)15-21/h1-16,23,28H,17H2/t23-/m1/s1
InChIK	OWWRRPLZPWKTFC-HSZRJFAPSA-N
TotalMolweight	452.469
Molweight	452.469
MonoisotopicMass	452.148456
CLogP	2.6896
CLogS	-5.749
H Acceptors	8
H Donors	1
TotalSurfaceArea	336.79
Relative PSA	0.23587
PolarSurfaceArea	100.28
Druglikeness	-2.3101
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - 1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone | 2 - 1-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-(2-nitropyridin-3-yl)oxyethanone

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