(E)-3-naphthalen-1-yl-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide

Formula:C21H17N3O5 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-naphthalen-1-yl-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide is a drug-like molecule.

MolName	(E)-3-naphthalen-1-yl-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
MolecularFormula	C21H17N3O5
Smiles	[O-][N+](c(cc1)ccc1OCC(NNC(/C=C/c1cccc2ccccc12)=O)=O)=O
InChI	InChI=1S/C21H17N3O5/c25-20(13-8-16-6-3-5-15-4-1-2-7-19(15)16)22-23-21(26)14-29-18-11-9-17(10-12-18)24(27)28/h1-13H,14H2,(H,22,25)(H,23,26)
InChIK	UUSOPQRYGIQZED-UHFFFAOYSA-N
TotalMolweight	391.382
Molweight	391.382
MonoisotopicMass	391.116822
CLogP	1.7945
CLogS	-5.526
H Acceptors	8
H Donors	2
TotalSurfaceArea	299.97
Relative PSA	0.2981
PolarSurfaceArea	113.25
Druglikeness	-4.5359
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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