3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate

Formula:C21H12N2O4F Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C21H12N2O4F
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C/c1ccc(-c2cc(C([O-])=O)ccc2)o1
InChI	InChI=1S/C21H13FN2O4/c22-16-4-6-17(7-5-16)24-20(25)15(12-23)11-18-8-9-19(28-18)13-2-1-3-14(10-13)21(26)27/h1-11H,(H,24,25)(H,26,27)/p-1
InChIK	DPDVFTFCNSHZTN-UHFFFAOYSA-M
TotalMolweight	375.334
Molweight	375.334
MonoisotopicMass	375.078111
CLogP	1.4371
CLogS	-5.557
H Acceptors	6
H Donors	1
TotalSurfaceArea	289.73
Relative PSA	0.27436
PolarSurfaceArea	106.16
Druglikeness	-1.9704
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate | 2 - 3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate

Request More Details | 3-[5-[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments