(2-chloro-1,3-thiazol-5-yl)methyl (E)-3-phenylprop-2-enoate

Formula:C13H10NO2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-chloro-1,3-thiazol-5-yl)methyl (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	(2-chloro-1,3-thiazol-5-yl)methyl (E)-3-phenylprop-2-enoate
MolecularFormula	C13H10NO2ClS
Smiles	O=C(/C=C/c1ccccc1)OCc(s1)cnc1Cl
InChI	InChI=1S/C13H10ClNO2S/c14-13-15-8-11(18-13)9-17-12(16)7-6-10-4-2-1-3-5-10/h1-8H,9H2
InChIK	PRJXJIYQIVUYQR-UHFFFAOYSA-N
TotalMolweight	279.746
Molweight	279.746
MonoisotopicMass	279.012076
CLogP	3.3329
CLogS	-3.898
H Acceptors	3
TotalSurfaceArea	211.15
Relative PSA	0.25749
PolarSurfaceArea	67.43
Druglikeness	-1.0602
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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