6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione

Formula:C27H16NO3Cl Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione is not a drug-like molecule.

MolName	6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
MolecularFormula	C27H16NO3Cl
Smiles	O=C(/C=C/c(cccc1)c1Cl)c(c1cccc(C(N2c3ccccc3)=O)c11)ccc1C2=O
InChI	InChI=1S/C27H16ClNO3/c28-23-12-5-4-7-17(23)13-16-24(30)19-14-15-22-25-20(19)10-6-11-21(25)26(31)29(27(22)32)18-8-2-1-3-9-18/h1-16H
InChIK	SXXMKSLIGAJHBX-UHFFFAOYSA-N
TotalMolweight	437.881
Molweight	437.881
MonoisotopicMass	437.081871
CLogP	5.9334
CLogS	-8.036
H Acceptors	4
TotalSurfaceArea	319.35
Relative PSA	0.13362
PolarSurfaceArea	54.45
Druglikeness	2.6115
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione | 2 - 6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione

Request More Details | 6-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments