(Z)-3-amino-4-oxo-4-phenylbut-2-enoyl chloride

Formula:C10H8NO2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-3-amino-4-oxo-4-phenylbut-2-enoyl chloride is a drug-like molecule.

MolName	(Z)-3-amino-4-oxo-4-phenylbut-2-enoyl chloride
MolecularFormula	C10H8NO2Cl
Smiles	N/C(/C(c1ccccc1)=O)=C\C(Cl)=O
InChI	InChI=1S/C10H8ClNO2/c11-9(13)6-8(12)10(14)7-4-2-1-3-5-7/h1-6H,12H2
InChIK	YBCZBSSORBBXCG-UHFFFAOYSA-N
TotalMolweight	209.632
Molweight	209.632
MonoisotopicMass	209.024356
CLogP	0.7285
CLogS	-2.17
H Acceptors	3
H Donors	1
TotalSurfaceArea	157.41
Relative PSA	0.26269
PolarSurfaceArea	60.16
Druglikeness	-9.794
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-halogenide type; allyl/benzyl chloride
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetricatoms	2
StereoCon

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