(E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H12NO2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H12NO2Br
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C20H12BrNO2/c21-17-8-6-14(7-9-17)19-11-10-18(24-19)12-16(13-22)20(23)15-4-2-1-3-5-15/h1-12H
InChIK	DPFCRCVHOBNPSK-UHFFFAOYSA-N
TotalMolweight	378.224
Molweight	378.224
MonoisotopicMass	377.00514
CLogP	4.8199
CLogS	-6.406
H Acceptors	3
TotalSurfaceArea	265.27
Relative PSA	0.15347
PolarSurfaceArea	54
Druglikeness	-4.3635
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - (E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile | 2 - (E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile

Request More Details | (E)-2-benzoyl-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments