[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate

Formula:C22H14O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H14O3Cl2
Smiles	O=C(/C=C/c1cccc(OC(c(cc2)ccc2Cl)=O)c1)c(cc1)ccc1Cl
InChI	InChI=1S/C22H14Cl2O3/c23-18-9-5-16(6-10-18)21(25)13-4-15-2-1-3-20(14-15)27-22(26)17-7-11-19(24)12-8-17/h1-14H
InChIK	ZZPUHBVNLNHJMQ-UHFFFAOYSA-N
TotalMolweight	397.256
Molweight	397.256
MonoisotopicMass	396.031999
CLogP	5.9463
CLogS	-6.782
H Acceptors	3
TotalSurfaceArea	295.62
Relative PSA	0.12205
PolarSurfaceArea	43.37
Druglikeness	0.18192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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