5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde

Formula:C14H10O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde is a drug-like molecule.

MolName	5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde
MolecularFormula	C14H10O3
Smiles	O=Cc1ccc(/C=C/C(c2ccccc2)=O)o1
InChI	InChI=1S/C14H10O3/c15-10-13-7-6-12(17-13)8-9-14(16)11-4-2-1-3-5-11/h1-10H
InChIK	WUJBMWMNRLSJID-UHFFFAOYSA-N
TotalMolweight	226.23
Molweight	226.23
MonoisotopicMass	226.062995
CLogP	2.4798
CLogS	-3.87
H Acceptors	3
TotalSurfaceArea	186.5
Relative PSA	0.2155
PolarSurfaceArea	47.28
Druglikeness	-0.39756
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde | 2 - 5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde

Request More Details | 5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-carbaldehyde

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments