(E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H11NO2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11NO2Cl2
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C20H11Cl2NO2/c21-17-8-4-7-16(19(17)22)18-10-9-15(25-18)11-14(12-23)20(24)13-5-2-1-3-6-13/h1-11H
InChIK	RKFMLDGOADMCBS-UHFFFAOYSA-N
TotalMolweight	368.218
Molweight	368.218
MonoisotopicMass	367.016683
CLogP	5.3067
CLogS	-7.044
H Acceptors	3
TotalSurfaceArea	277.48
Relative PSA	0.14671
PolarSurfaceArea	54
Druglikeness	-2.4976
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile | 2 - (E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile

Request More Details | (E)-2-benzoyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments