(E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one

Formula:C21H16NO3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one
MolecularFormula	C21H16NO3Cl
Smiles	O=C(/C=C/c(cc1)ccc1OCC1OC1)c1cc2ccccc2nc1Cl
InChI	InChI=1S/C21H16ClNO3/c22-21-18(11-15-3-1-2-4-19(15)23-21)20(24)10-7-14-5-8-16(9-6-14)25-12-17-13-26-17/h1-11,17H,12-13H2/t17-/m0/s1
InChIK	KBHTYHVSSGYQCU-KRWDZBQOSA-N
TotalMolweight	365.815
Molweight	365.815
MonoisotopicMass	365.081871
CLogP	3.869
CLogS	-5.208
H Acceptors	4
TotalSurfaceArea	280.22
Relative PSA	0.18436
PolarSurfaceArea	51.72
Druglikeness	-5.2717
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	oxiran/aziridine
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one

Request More Details | (E)-1-(2-chloroquinolin-3-yl)-3-[4-(oxiran-2-ylmethoxy)phenyl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments