[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H15O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H15O5Cl
Smiles	O=C(/C=C/c1cc(OC(c(cc2)cc3c2OCO3)=O)ccc1)c(cc1)ccc1Cl
InChI	InChI=1S/C23H15ClO5/c24-18-8-5-16(6-9-18)20(25)10-4-15-2-1-3-19(12-15)29-23(26)17-7-11-21-22(13-17)28-14-27-21/h1-13H,14H2
InChIK	RKIJKLSAKUEZMB-UHFFFAOYSA-N
TotalMolweight	406.82
Molweight	406.82
MonoisotopicMass	406.060802
CLogP	5.4517
CLogS	-6.757
H Acceptors	5
TotalSurfaceArea	300.46
Relative PSA	0.18665
PolarSurfaceArea	61.83
Druglikeness	0.18442
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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