5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate

Formula:C22H14N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate is a drug-like molecule.

MolName	5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate
MolecularFormula	C22H14N2O4Cl
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1ccc(-c(cc2)cc(C([O-])=O)c2Cl)o1
InChI	InChI=1S/C22H15ClN2O4/c23-19-8-6-15(11-18(19)22(27)28)20-9-7-17(29-20)10-16(12-24)21(26)25-13-14-4-2-1-3-5-14/h1-11H,13H2,(H,25,26)(H,27,28)/p-1
InChIK	POWQMRIVOWNJIF-UHFFFAOYSA-M
TotalMolweight	405.816
Molweight	405.816
MonoisotopicMass	405.06421
CLogP	1.6517
CLogS	-5.795
H Acceptors	6
H Donors	1
TotalSurfaceArea	312.56
Relative PSA	0.25432
PolarSurfaceArea	106.16
Druglikeness	-0.15195
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate | 2 - 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate

Request More Details | 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments