(E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid

Formula:C16H14N2O4 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid
MolecularFormula	C16H14N2O4
Smiles	OC(/C=C/C(NNC(Cc1cccc2ccccc12)=O)=O)=O
InChI	InChI=1S/C16H14N2O4/c19-14(8-9-16(21)22)17-18-15(20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22)
InChIK	IOARZNPIMAZIJQ-UHFFFAOYSA-N
TotalMolweight	298.297
Molweight	298.297
MonoisotopicMass	298.095358
CLogP	0.7466
CLogS	-3.498
H Acceptors	6
H Donors	3
TotalSurfaceArea	230.64
Relative PSA	0.32579
PolarSurfaceArea	95.5
Druglikeness	2.0587
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobut-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments