[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate

Formula:C22H20O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate is not a drug-like molecule.

MolName	[4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] cyclohexanecarboxylate
MolecularFormula	C22H20O3Cl2
Smiles	O=C(C1CCCCC1)Oc(cc1)ccc1C(/C=C/c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C22H20Cl2O3/c23-18-10-6-15(20(24)14-18)9-13-21(25)16-7-11-19(12-8-16)27-22(26)17-4-2-1-3-5-17/h6-14,17H,1-5H2
InChIK	CJBQCKHBDHAALF-UHFFFAOYSA-N
TotalMolweight	403.304
Molweight	403.304
MonoisotopicMass	402.078949
CLogP	5.8466
CLogS	-6.938
H Acceptors	3
TotalSurfaceArea	303.66
Relative PSA	0.11882
PolarSurfaceArea	43.37
Druglikeness	-3.7489
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	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
StereoCon

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