(2E,4Z)-5-chloro-5-(2-hydroxyphenyl)-2-(thiophene-2-carbonyl)penta-2,4-dienenitrile

Formula:C16H10NO2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none (2E,4Z)-5-chloro-5-(2-hydroxyphenyl)-2-(thiophene-2-carbonyl)penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4Z)-5-chloro-5-(2-hydroxyphenyl)-2-(thiophene-2-carbonyl)penta-2,4-dienenitrile
MolecularFormula	C16H10NO2ClS
Smiles	N#C/C(/C(c1cccs1)=O)=C\C=C(\c(cccc1)c1O)/Cl
InChI	InChI=1S/C16H10ClNO2S/c17-13(12-4-1-2-5-14(12)19)8-7-11(10-18)16(20)15-6-3-9-21-15/h1-9,19H
InChIK	DHNIQPQGQWCCIC-UHFFFAOYSA-N
TotalMolweight	315.779
Molweight	315.779
MonoisotopicMass	315.012076
CLogP	3.612
CLogS	-3.287
H Acceptors	3
H Donors	1
TotalSurfaceArea	239.61
Relative PSA	0.25066
PolarSurfaceArea	89.33
Druglikeness	-1.5986
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; allyl/benzyl chloride
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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