3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Formula:C19H16N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C19H16N2O5
Smiles	N#C/C(/C(N1CCOCC1)=O)=C\c1ccc(-c2cccc(C(O)=O)c2)o1
InChI	InChI=1S/C19H16N2O5/c20-12-15(18(22)21-6-8-25-9-7-21)11-16-4-5-17(26-16)13-2-1-3-14(10-13)19(23)24/h1-5,10-11H,6-9H2,(H,23,24)
InChIK	WXCXGKBUPABOKQ-UHFFFAOYSA-N
TotalMolweight	352.345
Molweight	352.345
MonoisotopicMass	352.105923
CLogP	1.9391
CLogS	-3.441
H Acceptors	7
H Donors	1
TotalSurfaceArea	272.82
Relative PSA	0.2947
PolarSurfaceArea	103.77
Druglikeness	0.2425
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Request More Details | 3-[5-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments