(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one

Formula:C18H13N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
MolecularFormula	C18H13N3O3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1-n1ncnc1
InChI	InChI=1S/C18H13N3O3/c22-16(7-1-13-2-8-17-18(9-13)24-12-23-17)14-3-5-15(6-4-14)21-11-19-10-20-21/h1-11H,12H2
InChIK	WEEHJCFXPYDQJO-UHFFFAOYSA-N
TotalMolweight	319.319
Molweight	319.319
MonoisotopicMass	319.095692
CLogP	2.4603
CLogS	-4.663
H Acceptors	6
TotalSurfaceArea	244.01
Relative PSA	0.25347
PolarSurfaceArea	66.24
Druglikeness	3.2745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one | 2 - (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one

Request More Details | (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments