4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Formula:C21H12N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H12N2O4Cl2
Smiles	N#C/C(/C(Nc(cc1)ccc1C(O)=O)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C21H12Cl2N2O4/c22-17-3-1-2-16(19(17)23)18-9-8-15(29-18)10-13(11-24)20(26)25-14-6-4-12(5-7-14)21(27)28/h1-10H,(H,25,26)(H,27,28)
InChIK	RXEIPRIDLUGLIV-UHFFFAOYSA-N
TotalMolweight	427.242
Molweight	427.242
MonoisotopicMass	426.017412
CLogP	4.6243
CLogS	-6.715
H Acceptors	6
H Donors	2
TotalSurfaceArea	313.04
Relative PSA	0.25016
PolarSurfaceArea	103.33
Druglikeness	-0.74551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
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 - 4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid | 2 - 4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

Request More Details | 4-[[(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments