4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Formula:C21H11N2O4Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C21H11N2O4Cl3
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C/c1ccc(-c(cc(cc2)C(O)=O)c2Cl)o1
InChI	InChI=1S/C21H11Cl3N2O4/c22-13-2-5-18(17(24)9-13)26-20(27)12(10-25)7-14-3-6-19(30-14)15-8-11(21(28)29)1-4-16(15)23/h1-9H,(H,26,27)(H,28,29)
InChIK	WBCTZHAYMLJKJE-UHFFFAOYSA-N
TotalMolweight	461.687
Molweight	461.687
MonoisotopicMass	459.978439
CLogP	5.2303
CLogS	-7.451
H Acceptors	6
H Donors	2
TotalSurfaceArea	328.46
Relative PSA	0.23842
PolarSurfaceArea	103.33
Druglikeness	-0.74551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid | 2 - 4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Request More Details | 4-chloro-3-[5-[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments