3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid

Formula:C28H20N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid is a drug-like molecule.

MolName	3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid
MolecularFormula	C28H20N2O5
Smiles	OC(c1cccc(COc2c(/C=C(/C(NN3c4ccccc4)=O)\C3=O)c3ccccc3cc2)c1)=O
InChI	InChI=1S/C28H20N2O5/c31-26-24(27(32)30(29-26)21-10-2-1-3-11-21)16-23-22-12-5-4-8-19(22)13-14-25(23)35-17-18-7-6-9-20(15-18)28(33)34/h1-16H,17H2,(H,29,31)(H,33,34)
InChIK	UYPCNKADLJPJCJ-UHFFFAOYSA-N
TotalMolweight	464.476
Molweight	464.476
MonoisotopicMass	464.137223
CLogP	3.3712
CLogS	-5.85
H Acceptors	7
H Donors	2
TotalSurfaceArea	343.71
Relative PSA	0.2247
PolarSurfaceArea	95.94
Druglikeness	3.7152
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid | 2 - 3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid

Request More Details | 3-[[1-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]naphthalen-2-yl]oxymethyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments