[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate

Formula:C22H14O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H14O3Cl2
Smiles	O=C(/C=C/c(cccc1)c1Cl)c(cc1)ccc1OC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C22H14Cl2O3/c23-19-7-3-1-5-15(19)11-14-21(25)16-9-12-17(13-10-16)27-22(26)18-6-2-4-8-20(18)24/h1-14H
InChIK	WBVAFJWQCSLFAV-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	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
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	2
StereoCon

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