cyclohexyl (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoate

Formula:C20H17NO3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high cyclohexyl (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoate is not a drug-like molecule.

MolName	cyclohexyl (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C20H17NO3Cl2
Smiles	N#C/C(/C(OC1CCCCC1)=O)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1
InChI	InChI=1S/C20H17Cl2NO3/c21-14-6-8-18(22)17(11-14)19-9-7-16(25-19)10-13(12-23)20(24)26-15-4-2-1-3-5-15/h6-11,15H,1-5H2
InChIK	QBIBGSRSRUAHHM-UHFFFAOYSA-N
TotalMolweight	390.265
Molweight	390.265
MonoisotopicMass	389.058548
CLogP	5.4604
CLogS	-6.905
H Acceptors	4
TotalSurfaceArea	295.52
Relative PSA	0.1716
PolarSurfaceArea	63.23
Druglikeness	-7.845
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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