(4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one

Formula:C13H12NO2Cl Mutagenic:low Tumorigenic:high Reproductive Effective:high (4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one
MolecularFormula	C13H12NO2Cl
Smiles	O=C1OC(CCCCl)=N/C1=C\c1ccccc1
InChI	InChI=1S/C13H12ClNO2/c14-8-4-7-12-15-11(13(16)17-12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIK	UXXDHOKNYPOEKH-UHFFFAOYSA-N
TotalMolweight	249.696
Molweight	249.696
MonoisotopicMass	249.055656
CLogP	2.3114
CLogS	-3.69
H Acceptors	3
TotalSurfaceArea	191.89
Relative PSA	0.18005
PolarSurfaceArea	38.66
Druglikeness	-4.6733
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one | 2 - (4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one

Request More Details | (4Z)-4-benzylidene-2-(3-chloropropyl)-1,3-oxazol-5-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments