ethyl (E)-2-cyano-3-[3-ethoxy-4-[(Z)-3-(4-fluorophenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate

Formula:C23H20NO5F Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (E)-2-cyano-3-[3-ethoxy-4-[(Z)-3-(4-fluorophenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate is a drug-like molecule.

MolName	ethyl (E)-2-cyano-3-[3-ethoxy-4-[(Z)-3-(4-fluorophenyl)prop-2-enoyl]oxyphenyl]prop-2-enoate
MolecularFormula	C23H20NO5F
Smiles	CCOC(/C(/C#N)=C/c(cc1)cc(OCC)c1OC(/C=C\c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C23H20FNO5/c1-3-28-21-14-17(13-18(15-25)23(27)29-4-2)7-11-20(21)30-22(26)12-8-16-5-9-19(24)10-6-16/h5-14H,3-4H2,1-2H3
InChIK	VXNXQQBLNXWRIF-UHFFFAOYSA-N
TotalMolweight	409.412
Molweight	409.412
MonoisotopicMass	409.132552
CLogP	4.3569
CLogS	-5.171
H Acceptors	6
TotalSurfaceArea	329.83
Relative PSA	0.21114
PolarSurfaceArea	85.62
Druglikeness	-11.057
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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